SCHEMBL5148944

SCHEMBL5148944

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 2/20 0.43
FABP3 P05413 1/20 0.43
MDM2 Q00987 4/20 0.41
MCL1 Q07820 3/20 0.41
BCL2 P10415 2/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
RPA1 P27694 2/20 0.40
CCKAR P32238 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
P2RX7 Q99572 1/20 0.39
FFAR4 Q5NUL3 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL5148724 0.94 BCL2 (0.45) FABP4FABP3MDM2MCL1BCL2
SCHEMBL5151982 0.93 MDM2 (0.41) FABP4FABP3MDM2MCL1BCL2
SCHEMBL5171475 0.91 RPA1 (0.42) FABP4FABP3MDM2MCL1BCL2
SCHEMBL5147693 0.91 MALT1 (0.41) FABP4FABP3MDM2MCL1BCL2
SCHEMBL5148760 0.91 FABP3 (0.39) FABP4FABP3MDM2MCL1BCL2
SCHEMBL5148783 0.91 PTGS2 (0.41) FABP4FABP3PIK3CAPIK3CGP2RX7
SCHEMBL5148979 0.91 RPA1 (0.50) FABP4FABP3MDM2MCL1BCL2
SCHEMBL5148880 0.91 MDM2 (0.41) FABP4FABP3MDM2MCL1BCL2
SCHEMBL5152228 0.90 PDE4A (0.40) FABP4FABP3PIK3CAPIK3CGMEN1
SCHEMBL5152262 0.89 PTGS2 (0.41) FABP4FABP3MDM2MCL1BCL2

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 FABP4 3914/4885FABP3 3873/4885MDM2 1492/4885

“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.