SCHEMBL14504928

SCHEMBL14504928

COc1ccc(-n2nc(C3CC3)cc2-c2ccc(OCCO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 7/20 0.47
▸ PTGS1 P23219 3/20 0.47
▸ FABP3 P05413 1/20 0.47
▸ FABP4 P15090 1/20 0.47
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ RPA1 P27694 1/20 0.45
▸ KCNJ6 P48051 1/20 0.44
▸ KCNJ3 P48549 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ BLM P54132 1/20 0.43
▸ PMP22 Q01453 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL14504805 0.90 PTGS2 (0.46) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL14504441 0.88 PTGS2 (0.46) PTGS2PTGS1CA1CA2CA9
SCHEMBL14504874 0.87 FABP3 (0.52) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL13157627 0.87 PTGS2 (0.47) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL14504449 0.86 MGLL (0.52) PTGS2PTGS1CA1CA2CA9
SCHEMBL5152488 0.85 FABP3 (0.45) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL14504781 0.84 PTGS2 (0.46) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL14504573 0.84 PTGS2 (0.46) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL14504558 0.83 CA1 (0.47) PTGS2PTGS1FABP3FABP4CA1
SCHEMBL14505148 0.82 PTGS2 (0.52) PTGS2PTGS1FABP3FABP4CA1

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
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 — — US 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-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 — — 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 PTGS2 1780/4885PTGS1 1105/4885FABP3 3873/4885

“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.

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