SCHEMBL3770602

SCHEMBL3770602

COc1cc(F)c(Cc2c(O)n[nH]c2C)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.42
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATM Q13315 1/20 0.36
GRK6 P43250 1/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.34
GAA P10253 2/20 0.34
TTR P02766 1/20 0.34
SLC5A1 P13866 1/20 0.34
SLC5A2 P31639 1/20 0.34
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
ALOX12 P18054 2/20 0.33
KMT2A Q03164 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GPR35 Q9HC97 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
HSP90AA1 P07900 1/20 0.33

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
SCHEMBL3779266 0.83 ALDH1A1 (0.42) LMNASMN1; SMN2ATMALDH1A1KDM4E
SCHEMBL4632389 0.83 TAAR1 (0.41) TAAR1SMN1; SMN2GRK6ALDH1A1GAA
SCHEMBL3783701 0.78 AR (0.37) LMNATTRSLC5A1SLC5A2MEN1
SCHEMBL3770160 0.76 P2RX7 (0.36) SMN1; SMN2GRK6ALDH1A1GAATTR
SCHEMBL1682189 0.76 SLC5A1 (0.53) LMNASMN1; SMN2ATMALDH1A1KDM4E
SCHEMBL12589092 0.75 SMN1; SMN2 (0.43) LMNASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL3773755 0.72 MEN1 (0.42) LMNASMN1; SMN2ATMALDH1A1KDM4E
SCHEMBL3775407 0.71 MEN1 (0.43) LMNAMEN1KMT2A
SCHEMBL3776919 0.71 P2RX7 (0.43) LMNAMEN1KMT2AHSP90AA1P2RX7
SCHEMBL3762637 0.70 P2RX7 (0.37) LMNASMN1; SMN2ALDH1A1GAATTR

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 10 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
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

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 TAAR1 3676/4885LMNA 2558/4885SMN1; SMN2 1013/4885
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE SLC5A1, SLC5A2, G6PC1 TAAR1 4848/4885LMNA 4438/4885SMN1; SMN2 3768/4885

“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.