SCHEMBL5151982

SCHEMBL5151982

COc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCNC(=O)O)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.41
MCL1 Q07820 7/20 0.41
BCL2 P10415 6/20 0.41
FABP3 P05413 1/20 0.40
FABP4 P15090 1/20 0.40
CCKAR P32238 5/20 0.39
NR3C1 P04150 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CG P48736 1/20 0.38
MAPK1 P28482 1/20 0.37
RPA1 P27694 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
GCGR P47871 1/20 0.37

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
SCHEMBL5148944 0.93 FABP4 (0.43) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5152083 0.92 MDM2 (0.39) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148624 0.91 CCKAR (0.47) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148724 0.89 BCL2 (0.45) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148880 0.89 MDM2 (0.41) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5151975 0.89 CA12 (0.41) MDM2MCL1BCL2NR3C1PIK3CA
SCHEMBL5148760 0.88 FABP3 (0.39) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148732 0.87 MDM2 (0.40) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5171475 0.86 RPA1 (0.42) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148783 0.86 PTGS2 (0.41) FABP3FABP4PIK3CAPIK3CG

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 4 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
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 MDM2 1492/4885MCL1 1748/4885BCL2 2334/4885

“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.