SCHEMBL14504558

SCHEMBL14504558

COc1ccc(-n2nc(C3CC3)cc2-c2ccc(OCCNS(N)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.47
▸ CA2 P00918 1/20 0.47
▸ CA9 Q16790 1/20 0.47
▸ PTGS2 P35354 17/20 0.46
▸ PTGS1 P23219 5/20 0.46
▸ CHRNA7 P36544 1/20 0.45
▸ FABP3 P05413 1/20 0.41
▸ FABP4 P15090 1/20 0.41

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
SCHEMBL14504573 0.91 PTGS2 (0.46) CA1CA2CA9PTGS2PTGS1
SCHEMBL5152488 0.85 FABP3 (0.45) CA1CA2CA9PTGS2PTGS1
SCHEMBL14504805 0.84 PTGS2 (0.46) CA1CA2CA9PTGS2PTGS1
SCHEMBL14504928 0.83 PTGS2 (0.47) CA1CA2CA9PTGS2PTGS1
SCHEMBL14504559 0.82 PTGS2 (0.70) CA1CA2CA9PTGS2PTGS1
SCHEMBL5148876 0.82 PTGS2 (0.37) CA1CA2CA9PTGS2FABP3
SCHEMBL14504874 0.79 FABP3 (0.52) CA1CA2CA9PTGS2PTGS1
SCHEMBL14504781 0.77 PTGS2 (0.46) CA1CA2CA9PTGS2PTGS1
SCHEMBL5147706 0.76 PTGS2 (0.50) CA1CA2CA9PTGS2PTGS1
SCHEMBL14504449 0.76 MGLL (0.52) CA1CA2CA9PTGS2PTGS1

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 CA1 4388/4885CA2 3227/4885CA9 4006/4885

“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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