SCHEMBL571449

SCHEMBL571449

CC(C)(C)c1cc(=O)cco1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
PKM P14618 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NQO1 P15559 1/20 0.31
POR P16435 1/20 0.31
KDM4E B2RXH2 2/20 0.30
MAPK1 P28482 1/20 0.30
LMNA P02545 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL10062636 0.79 NQO1 (0.31) NQO1POR
SCHEMBL1700927 0.77 MAPT (0.36) KDM4ELMNA
SCHEMBL1701034 0.74 ALDH1A1 (0.34)
SCHEMBL10787662 0.70 ALOX15 (0.44) NPC1RAB9APKMTSHRSMN1; SMN2
SCHEMBL2405291 0.69
SCHEMBL418090 0.65
SCHEMBL9812791 0.64 KDM4E (0.39) NQO1PORKDM4EMAPK1LMNA
SCHEMBL804843 0.64 NQO1 (0.61) NPC1RAB9APKMTSHRSMN1; SMN2
SCHEMBL10810437 0.64 KDM4E (0.39) NQO1PORKDM4EMAPK1LMNA
SCHEMBL17718796 0.64 ALDH1A1 (0.39) NPC1RAB9APKMTSHRALOX15

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 59 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10328065-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the B-RAF inhibitor dabrafenib; the use of such combination in the treatment or prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-10328066-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the CDK4/6 inhibitor ribociclib, and the use thereof in the treatment/prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-10328066-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the CDK4/6 inhibitor ribociclib, and the use thereof in the treatment/prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-10328065-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the B-RAF inhibitor dabrafenib; the use of such combination in the treatment or prevention of cancer NOVARTIS AG (CH) 2019-06-25 US disclosed
US-20180318275-A1 COMBINATION THERAPY USING PI3K INHIBITOR AND MDM2 INHIBITOR NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-11-08 US disclosed
EP-3380097-A2 PHARMACEUTICAL COMBINATION COMPRISING (A) THE ALPHA-ISOFORM SPECIFIC PI3K INHIBITOR ALPELISIB (BYL719) AND (B) AN AKT INHIBITOR, PREFERABLY MK-2206, AFURESERTIB OR UPROSERTIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER Novartis AG (CH) 2018-10-03 EP disclosed
US-20180256557-A1 PHARMACEUTICAL COMBINATION COMPRISING (A) THE ALPHA-ISOFORM SPECIFIC PI3K INHIBITOR ALPELISIB (BYL719) AND (B) AN AKT INHIBITOR, PREFERABLY MK-2206, AFURESERTIB OR UPROSERTIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-09-13 US disclosed
US-20180243280-A1 A PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE CDK4/6 INHIBITOR RIBOCICLIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-08-30 US disclosed
US-20180243279-A1 PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE B-RAF INHIBITOR DABRAFENIB; THE USE OF SUCH COMBINATION IN THE TREATMENT OR PREVENTION OF CANCER NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2018-08-30 US disclosed
EP-3355886-A1 PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE B-RAF INHIBITOR DABRAFENIB; THE USE OF SUCH COMBINATION IN THE TREATMENT OR PREVENTION OF CANCER Novartis AG (CH) 2018-08-08 EP disclosed
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US disclosed
US-8227462-B2 Pyrrolidine-1,2-dicarboxamide derivatives NOVARTIS AG (CH) 2012-07-24 US disclosed
WO-2012016970-A1 A CRYSTALLINE FORM OF (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 2-AMIDE 1-(4 -METHYL-5-[2-(2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYL)-PYRIDIN-4-YL]-THIAZOL-2-YL)-AMIDE AND ITS USE AS PI3K INHIBITOR NOVARTIS AG (CH) 2012-02-09 WO disclosed
WO-2012016970-A1 A CRYSTALLINE FORM OF (S)-PYRROLIDINE-1,2-DICARBOXYLIC ACID 2-AMIDE 1-(4 -METHYL-5-[2-(2,2,2-TRIFLUORO-1,1-DIMETHYL-ETHYL)-PYRIDIN-4-YL]-THIAZOL-2-YL)-AMIDE AND ITS USE AS PI3K INHIBITOR NOVARTIS AG (CH) 2012-02-09 WO disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
US-20100105711-A1 Organic Compounds NOVARTIS AG 2010-04-29 US disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD NPC1 1603/4885RAB9A 516/4885PKM 1368/4885
US-20180243279-A1 PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE B-RAF INHIBITOR DABRAFENIB; THE USE OF SUCH COMBINATION IN THE TREATMENT OR PREVENTION OF CANCER BRAF, RAF1, PIK3CA NPC1 2283/4885RAB9A 176/4885PKM 1644/4885
US-20180243280-A1 A PHARMACEUTICAL COMBINATION COMPRISING THE PI3K INHIBITOR ALPELISIB AND THE CDK4/6 INHIBITOR RIBOCICLIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER CDK4, CDK3, CDK6 NPC1 3022/4885RAB9A 962/4885PKM 628/4885
US-10328066-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the CDK4/6 inhibitor ribociclib, and the use thereof in the treatment/prevention of cancer CDK4, CDK6, CDK9 NPC1 3088/4885RAB9A 1073/4885PKM 1124/4885
US-20100105711-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD NPC1 500/4885RAB9A 1091/4885PKM 1407/4885
US-20180318275-A1 COMBINATION THERAPY USING PI3K INHIBITOR AND MDM2 INHIBITOR TP53, MDM2, BCL2 NPC1 3777/4885RAB9A 2538/4885PKM 3378/4885
US-20180256557-A1 PHARMACEUTICAL COMBINATION COMPRISING (A) THE ALPHA-ISOFORM SPECIFIC PI3K INHIBITOR ALPELISIB (BYL719) AND (B) AN AKT INHIBITOR, PREFERABLY MK-2206, AFURESERTIB OR UPROSERTIB, AND THE USE THEREOF IN THE TREATMENT/PREVENTION OF CANCER PIK3CA, PIK3R5, PIK3R2 NPC1 1464/4885RAB9A 358/4885PKM 653/4885
US-10328065-B2 Pharmaceutical combination comprising the PI3K inhibitor alpelisib and the B-RAF inhibitor dabrafenib; the use of such combination in the treatment or prevention of cancer BRAF, RAF1, PIK3CA NPC1 2283/4885RAB9A 176/4885PKM 1644/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.