SCHEMBL9289288

SCHEMBL9289288

CCc1cccc(-c2cc(C(C)C)ccc2Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.47
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ CASR P41180 1/20 0.40
▸ THRA P10827 2/20 0.38
▸ THRB P10828 2/20 0.38
▸ BCL2 P10415 1/20 0.38
▸ PTPN5 P54829 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ NISCH Q9Y2I1 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ CHRM4 P08173 1/20 0.36
▸ CHRM5 P08912 1/20 0.36
▸ CHRM1 P11229 1/20 0.36
▸ CHRM3 P20309 1/20 0.36
▸ AOC3 Q16853 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
SCHEMBL9287760 0.81 RORC (0.45) THRATHRBBCL2IDO1NISCH
SCHEMBL24196055 0.79 CSNK2A1 (0.44) PTGS2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL13524519 0.79 CYP2A6 (0.48) PTGS2PTPN5LMNACHRM3
SCHEMBL3643354 0.77 AOC3 (0.52) CASRTHRATHRBBCL2IDO1
SCHEMBL9285060 0.77 CYP1A1 (0.46) PTGS2CYP3A4CYP2D6CASR
SCHEMBL9261780 0.76 PTPN5 (0.46) PTPN5LMNA
SCHEMBL598569 0.74 CYP1A2 (0.45) PTGS2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL31190190 0.74 CYP1A2 (0.45) PTGS2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL17107866 0.74 PTGS2 (0.42) PTGS2BCL2IDO1NISCHCHRM2
SCHEMBL21508002 0.73 PTGS2 (0.40) PTGS2THRATHRBBCL2IDO1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND SHIONOGI & CO., LTD. (JP) 2012-05-31 — — 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-20120135997-A1 PHARMACEUTICAL COMPOSITION COMPRISING A LACTAM OR BENZENESULFONAMIDE COMPOUND BACE1, STS, APP PTGS2 3194/4885CYP3A4 571/4885CYP2D6 464/4885

“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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