SCHEMBL4905922

SCHEMBL4905922

COC(=O)c1cc(S(=O)(=O)NCCc2nc3cc(C(F)(F)F)ccc3s2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.49
DYRK1A Q13627 1/20 0.44
NCS1 P62166 1/20 0.43
AKR1B1 P15121 8/20 0.42
ALOX5 P09917 1/20 0.39
AKR1A1 P14550 1/20 0.39
AGPAT2 O15120 1/20 0.38
GAA P10253 1/20 0.38
MCL1 Q07820 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL4897642 0.92 TRPV1 (0.50) TRPV1DYRK1ANCS1AKR1B1ALOX5
SCHEMBL4902624 0.85 SMN1; SMN2 (0.53) GAAALDH1A1
SCHEMBL5391125 0.82 TRPV1 (0.56) TRPV1DYRK1ANCS1AKR1B1ALOX5
SCHEMBL14423962 0.79 TRPV1 (0.52) TRPV1AGPAT2GAAALDH1A1
SCHEMBL4905942 0.78 DYRK1A (0.41) TRPV1DYRK1ANCS1AKR1B1ALOX5
SCHEMBL4905529 0.78 MAPT (0.45) GAAALDH1A1
SCHEMBL4894513 0.77 HTT (0.48) GAAALDH1A1
SCHEMBL4906718 0.77 TP53 (0.48) GAAALDH1A1
SCHEMBL4906494 0.76 LMNA (0.56) GAAALDH1A1
SCHEMBL4902600 0.76 LMNA (0.64) ALDH1A1

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-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PFIZER INC. 2008-04-17 US disclosed
US-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds HAMANAKA ERNEST S 2006-10-12 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 (2 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-20060229363-A1 Substituted Heteroaryl- and Phenylsulfamoyl Compounds PPARA, PPARG, PPARD TRPV1 3358/4885DYRK1A 3126/4885NCS1 4540/4885
US-20080090829-A1 SUBSTITUTED HETEROARYL- AND PHENYLSULFAMOYL COMPOUNDS PPARA, PPARG, PPARD TRPV1 3397/4885DYRK1A 3237/4885NCS1 4555/4885

“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.