SCHEMBL971737

SCHEMBL971737

COc1c(C(=O)O)nn(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.56
PTGS1 P23219 3/20 0.53
CYP1A2 P05177 1/20 0.50
HIF1A Q16665 1/20 0.50
CNR1 P21554 1/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 1/20 0.47
CA9 Q16790 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RPA1 P27694 1/20 0.47
PPP1CA P62136 1/20 0.45
MARS1 P56192 1/20 0.45
TP53 P04637 1/20 0.43
MALT1 Q9UDY8 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL972018 0.84 CNR1 (0.51) CNR1
SCHEMBL969917 0.84 CNR2 (0.58) CNR1RPA1
SCHEMBL277784 0.82 CNR1 (0.62) PTGS2PTGS1CYP1A2HIF1ACNR1
Hydrochloric Acid SCHEMBL278149 0.81 CNR1 (0.61) PTGS2PTGS1CYP1A2HIF1ACNR1
SCHEMBL971193 0.80 CNR1 (0.73) CNR1
SCHEMBL29838955 0.77 CYP1A2 (0.57) PTGS2CYP1A2HIF1ACNR1CA1
SCHEMBL4183860 0.77 PTGS2 (0.60) PTGS2PTGS1CYP1A2HIF1ACNR1
SCHEMBL16197705 0.77 CNR1 (0.57) PTGS2CYP1A2HIF1ACNR1L3MBTL1
SCHEMBL1010431 0.76 MARS1 (0.51) PTGS2PTGS1CYP1A2HIF1ACNR1
SCHEMBL972012 0.74 CNR1 (0.51) CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872006-B2 Pyrazole compounds having cannabinoid receptor (CB1) antagonizing activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-01-18 US disclosed
US-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-02-19 US 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 (1 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-20090048256-A1 Pyrazole Compounds Having Cannabinoid Receptor (CB1) Antagonizing Activity CNR1, CNR2, OPRD1 PTGS2 1737/4885PTGS1 1300/4885CYP1A2 192/4885

“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.