SCHEMBL5148979

SCHEMBL5148979

COc1ccc(-n2nc(OC)cc2-c2ccc(OCCNC(=O)O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 2/20 0.50
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
CCKAR P32238 10/20 0.48
MALT1 Q9UDY8 1/20 0.47
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
BCL2 P10415 1/20 0.45
MDM2 Q00987 1/20 0.45
MCL1 Q07820 1/20 0.45
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
NPC1 O15118 1/20 0.45
MARS1 P56192 1/20 0.45

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
SCHEMBL5150407 0.93 BCL2 (0.50) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5148686 0.92 MALT1 (0.49) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5148624 0.91 CCKAR (0.47) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5148944 0.91 FABP4 (0.43) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5152203 0.91 MALT1 (0.47) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5148915 0.90 MDM2 (0.52) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5152288 0.89 PTGS2 (0.50) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5150568 0.89 CCKAR (0.46) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5148630 0.89 BCL2 (0.45) RPA1FABP3FABP4CCKARMALT1
SCHEMBL5420997 0.88 RPA1 (0.67) RPA1MALT1BCL2MDM2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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 (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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 RPA1 2143/4885FABP3 3873/4885FABP4 3914/4885

“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.