SCHEMBL5148732

SCHEMBL5148732

COc1ccc(-n2nc(OC(C)C)cc2-c2ccc(OCCO)cc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MDM2 Q00987 7/20 0.40
MCL1 Q07820 7/20 0.40
BCL2 P10415 6/20 0.40
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CCKAR P32238 2/20 0.35
NR3C1 P04150 1/20 0.35
RPA1 P27694 1/20 0.35
PDE10A Q9Y233 1/20 0.35

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
SCHEMBL5148690 0.91 FABP3 (0.41) MDM2MCL1BCL2FABP3FABP4
Hydrochloric Acid SCHEMBL5147761 0.90 MDM2 (0.37) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148614 0.89 PTGS2 (0.47) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148739 0.87 BCL2 (0.43) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5151982 0.87 MDM2 (0.41) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5152083 0.86 MDM2 (0.39) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5147718 0.86 FYN (0.43) MDM2MCL1BCL2PTGS1PTGS2
SCHEMBL5152224 0.86 PTGS2 (0.38) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5149007 0.85 MDM2 (0.52) MDM2MCL1BCL2FABP3FABP4
SCHEMBL5148761 0.85 PTGS2 (0.38) MDM2MCL1BCL2FABP3FABP4

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.