SCHEMBL4965334

SCHEMBL4965334

O=S(=O)(CCc1ccccc1Br)Nc1ccccc1F

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.55
PTGES2 Q9H7Z7 10/20 0.49
TAAR1 Q96RJ0 2/20 0.42
HTT P42858 1/20 0.42
ALDH1A1 P00352 1/20 0.41
GLO1 Q04760 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL4964889 0.86 PSIP1 (0.50) PSIP1PTGES2
SCHEMBL4967722 0.84 PTGES2 (0.49) PSIP1PTGES2ALDH1A1
SCHEMBL14123866 0.78 PTGES2 (0.43) PTGES2TAAR1CA12CA1CA2
SCHEMBL12459797 0.74 PSIP1 (0.77) PSIP1SLC22A12
SCHEMBL15672937 0.73 PSIP1 (0.75) PSIP1PTGES2HTTALDH1A1SLC22A12
SCHEMBL3712510 0.72 PSIP1 (1.00) PSIP1ALDH1A1SLC22A12
SCHEMBL22778265 0.72 PSIP1 (0.72) PSIP1ALDH1A1
SCHEMBL23014685 0.70 PSIP1 (0.68) PSIP1
SCHEMBL21117079 0.70 PSIP1 (0.68) PSIP1
SCHEMBL13552082 0.69 TAAR1 (0.50) TAAR1ALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171737-A1 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-07-17 US disclosed
WO-2008073956-A2 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO 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-20080171737-A1 CYCLIC SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE SLC6A4, SLC6A2, SLC6A3 PSIP1 1605/4885PTGES2 1609/4885TAAR1 399/4885

“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.