SCHEMBL3783701

SCHEMBL3783701

COc1c(F)cc(Cc2c(O)n[nH]c2C)cc1F

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
DBH P09172 1/20 0.35
P2RX7 Q99572 1/20 0.35
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
SLC5A1 P13866 1/20 0.33
SLC5A2 P31639 1/20 0.33
ILK Q13418 1/20 0.33
TTR P02766 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
SCHEMBL4633267 0.83 DBH (0.34) DBHP2RX7SLC5A1SLC5A2TTR
SCHEMBL12589092 0.82 SMN1; SMN2 (0.43) ARMEN1LMNAKMT2ADBH
SCHEMBL3770602 0.78 TAAR1 (0.42) MEN1LMNAKMT2AP2RX7SLC5A1
SCHEMBL3775407 0.78 MEN1 (0.43) ARMEN1LMNAKMT2A
SCHEMBL3775623 0.76 MEN1 (0.42) ARMEN1LMNAKMT2AP2RX7
SCHEMBL3770160 0.75 P2RX7 (0.36) MEN1KMT2AP2RX7ILKTTR
SCHEMBL1682189 0.75 SLC5A1 (0.53) ARMEN1LMNAKMT2ASLC5A1
SCHEMBL3779266 0.74 ALDH1A1 (0.42) MEN1LMNAKMT2AP2RX7SLC5A1
SCHEMBL3773689 0.71 S1PR5 (0.43) LMNASLC5A1SLC5A2TTR
SCHEMBL3772141 0.71 GAA (0.41) ARMEN1LMNAKMT2AP2RX7

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 AR 3664/4885MEN1 2486/4885LMNA 2558/4885
US-20100317575-A1 PHARMACEUTICAL COMPOSITION COMPRISING A PYRAZOLE-O-GLUCOSIDE DERIVATIVE SLC5A1, SLC5A2, G6PC1 AR 3014/4885MEN1 3761/4885LMNA 4438/4885

“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.