SCHEMBL1118007

SCHEMBL1118007

Cc1ccc(C(=O)C2=C(O)c3sc(NC(=O)OCC4CCCO4)nc3CC2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
NPC1 O15118 8/20 0.44
ALDH1A1 P00352 7/20 0.44
RXFP1 Q9HBX9 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 4/20 0.42
KMT2A Q03164 4/20 0.42
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
MAPK1 P28482 1/20 0.42
TP53 P04637 2/20 0.40
HTT P42858 1/20 0.40
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 1/20 0.38
P2RX3 P56373 4/20 0.37
P2RX2 Q9UBL9 4/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL1117996 0.86 GRM4 (0.37) P2RX3P2RX2GRM5
SCHEMBL1117942 0.85 HTT (0.44) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL4550899 0.83 TSHR (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL1118068 0.80 CSNK2A2 (0.38) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1
SCHEMBL1781189 0.78 RAB9A (0.38) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL1117979 0.78 PIK3CD (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL4550711 0.77 ALDH1A1 (0.37) RAB9ASMN1; SMN2NPC1ALDH1A1RXFP1
SCHEMBL1117951 0.73 TSHR (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL4550801 0.72 TSHR (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL1117877 0.72 POLB (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-8304556-B2 Thiazolyl-dihydro-indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-11-06 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108567-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-19 US disclosed
EP-2280982-A1 THIAZOLYL-DIHYDRO-INDAZOLES Boehringer Ingelheim International GmbH (DE) 2011-02-09 EP disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 WO disclosed
WO-2009112565-A1 THIAZOLYL-DIHYDRO-INDAZOLES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-17 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-20120108567-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R RAB9A 2207/4885SMN1; SMN2 1428/4885NPC1 136/4885
US-20110118208-A1 Thiazolyl-Dihydro-Indazoles MKI67, CYP11B1, IGF1R RAB9A 2207/4885SMN1; SMN2 1428/4885NPC1 136/4885

“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.