SCHEMBL3772141

SCHEMBL3772141

COc1ccc(Cc2c(O)n[nH]c2C)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ATM Q13315 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 1/20 0.41
ADORA2A P29274 1/20 0.41
AR P10275 1/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
P2RX7 Q99572 1/20 0.39
CA2 P00918 1/20 0.38
PDE5A O76074 2/20 0.38
ALOX5AP P20292 1/20 0.38
CETP P11597 1/20 0.38

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
SCHEMBL12589092 0.84 SMN1; SMN2 (0.43) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL1682189 0.77 SLC5A1 (0.53) ATMKMT2AMEN1ALDH1A1AR
SCHEMBL21218907 0.77 MEN1 (0.51) KMT2AMEN1ARLMNAP2RX7
SCHEMBL3775407 0.72 MEN1 (0.43) KMT2AMEN1ARLMNA
SCHEMBL3762637 0.72 P2RX7 (0.37) GAANPC1RAB9AKMT2AMEN1
SCHEMBL3783701 0.71 AR (0.37) KMT2AMEN1ARLMNAP2RX7
SCHEMBL3773689 0.71 S1PR5 (0.43) ALDH1A1LMNASMN1; SMN2
SCHEMBL3775623 0.70 MEN1 (0.42) KMT2AMEN1ARLMNAP2RX7
SCHEMBL1682174 0.70 P2RX7 (0.52) RAB9AKMT2AMEN1ALDH1A1AR
SCHEMBL3770160 0.69 P2RX7 (0.36) GAAKMT2AMEN1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-16 US disclosed
EP-2124970-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE Boehringer Ingelheim International GmbH (DE) 2009-12-02 EP disclosed
WO-2008087198-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 WO disclosed
WO-2008087198-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-07-24 WO disclosed
EP-1912656-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES Boehringer Ingelheim International GmbH (DE) 2008-04-23 EP disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
US-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives AJINOMOTO CO., INC. (JP) 2007-03-29 US disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 WO disclosed
WO-2007014895-A2 METHODS FOR PREVENTING AND TREATING METABOLIC DISORDERS AND NEW PYRAZOLE-O-GLYCOSIDE DERIVATIVES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-02-08 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-20070072813-A1 Methods for preventing and treating metabolic disorders and new pyrazole-O-glycoside derivatives IAPP, G6PC1, GPR119 GAA 202/4885NPC1 248/4885RAB9A 1790/4885
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE SLC5A1, SLC5A2, G6PC1 GAA 102/4885NPC1 466/4885RAB9A 3159/4885

“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.