SCHEMBL4605316

SCHEMBL4605316

CCC(=O)Nc1ccc(Sc2ccccc2C(F)(F)F)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
POLB P06746 2/20 0.40
MCL1 Q07820 1/20 0.40
BCL2A1 Q16548 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
DHODH Q02127 1/20 0.39
PKM P14618 1/20 0.39
GAA P10253 1/20 0.39
RBP4 P02753 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2C9 P11712 3/20 0.39

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
SCHEMBL4604124 0.84 KCNK2 (0.42) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4604157 0.83 AKR1C3 (0.47) AKR1C3AKR1C2TAS2R14SMN1; SMN2KDM4E
SCHEMBL4617063 0.81 ALDH1A1 (0.41) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL4606217 0.81 SIRT2 (0.48) AKR1C3AKR1C2KDM4EALDH1A1POLB
SCHEMBL4604809 0.80 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A
SCHEMBL5712968 0.78 TAS2R14 (0.36) AKR1C3AKR1C2TAS2R14KDM4EPOLB
SCHEMBL5712901 0.77 AKR1C3 (0.56) AKR1C3AKR1C2TAS2R14SMN1; SMN2KDM4E
SCHEMBL4605497 0.77 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1KMT2ANPC1LMNA
SCHEMBL4604515 0.76 MAPT (0.49) AKR1C3AKR1C2TAS2R14KDM4EALDH1A1
SCHEMBL4606032 0.76 ALDH1A1 (0.46) SMN1; SMN2KDM4EALDH1A1MEN1KMT2A

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION 2016-10-06 US disclosed
EP-3071199-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES Genzyme Corporation (US) 2016-09-28 EP disclosed
WO-2015077535-A2 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES GENZYME CORPORATION (US) 2015-05-28 WO disclosed
EP-1720825-B1 ANTHRANILIC ACID DERIVATIVES, METHODS FOR THEIR PREPARATION AND USE AS DHODH INHIBITORS ACTIVE BIOTECH AB (SE) 2008-07-09 EP disclosed
EP-1720825-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF Active Biotech AB (SE) 2006-11-15 EP disclosed
US-7074831-B2 Compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2006-07-11 US disclosed
US-20050187297-A1 New compounds, methods for their preparation and use thereof ACTIVE BIOTECH AB (SE) 2005-08-25 US disclosed
WO-2005075410-A1 NEW COMPOUNDS, METHODS FOR THEIR PREPARATION AND USE THEREOF ACTIVE BIOTECH AB (SE) 2005-08-18 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 (2 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-20160287549-A1 NOVEL METHODS FOR TREATING NEURODEGENERATIVE DISEASES DHODH, DLD, HAGH AKR1C3 577/4885AKR1C2 461/4885TAS2R14 4640/4885
US-20050187297-A1 New compounds, methods for their preparation and use thereof MALT1, TPMT, FUCA1 AKR1C3 246/4885AKR1C2 363/4885TAS2R14 3993/4885

“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.