SCHEMBL10052333

SCHEMBL10052333

O=C(NCc1ccc(C(F)(F)F)cc1)c1sc2ccccc2c1Br

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.74
▸ MAPK14 Q16539 1/20 0.53
▸ SENP5 Q96HI0 1/20 0.52
▸ SENP2 Q9HC62 1/20 0.52
▸ SENP1 Q9P0U3 1/20 0.52
▸ LSS P48449 1/20 0.46
▸ PPARA Q07869 4/20 0.45
▸ NMT1 P30419 1/20 0.45
▸ CHRM4 P08173 1/20 0.44
▸ PTGER4 P35408 2/20 0.43
▸ MAOA P21397 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ PPARD Q03181 1/20 0.43
▸ MCHR1 Q99705 2/20 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
SCHEMBL346925 0.86 PTGS2 (0.80) PTGS2SENP5SENP2SENP1NMT1
SCHEMBL347478 0.86 PTGS2 (1.00) PTGS2SENP5SENP2SENP1NMT1
SCHEMBL347919 0.81 PTGS2 (0.76) PTGS2SENP5SENP2SENP1NMT1
SCHEMBL10021087 0.79 PTGS2 (0.72) PTGS2SENP5SENP2SENP1NMT1
SCHEMBL347428 0.75 PTGS2 (0.70) PTGS2
SCHEMBL19876777 0.75 ALDH1A1 (0.44) PTGS2SENP5SENP2SENP1PPARA
SCHEMBL347207 0.74 PTGS2 (1.00) PTGS2
SCHEMBL2634030 0.74 MAPK14 (0.76) MAPK14LSSPPARAMAOANAMPT
SCHEMBL10481490 0.74 MAPK14 (0.56) PTGS2MAPK14SENP5SENP2SENP1
SCHEMBL1623348 0.73 PTGS2 (0.67) PTGS2SENP5SENP2SENP1NMT1

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-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF INDIAN INSTITUTE OF SCIENCE (IN) 2012-01-19 — — 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-20120016014-A1 BENZOTHIOPHENE CARBOXAMIDE COMPOUNDS, COMPOSITION AND APPLICATIONS THEREOF PTGER2, PTGES2, PTGIR PTGS2 4/4885MAPK14 2056/4885SENP5 2397/4885

“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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