SCHEMBL3900282

SCHEMBL3900282

NCCc1ccc(CS(=O)(=O)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 2/20 0.64
TMPRSS4 Q9NRS4 2/20 0.64
CYP1A2 P05177 2/20 0.64
TP53 P04637 1/20 0.64
CYP2D6 P10635 1/20 0.64
TSHR P16473 1/20 0.64
FAAH O00519 1/20 0.56
PRSS1 P07477 1/20 0.56
PRSS2 P07478 1/20 0.56
ELANE P08246 1/20 0.56
PRTN3 P24158 1/20 0.56
PRSS3 P35030 1/20 0.56
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA4 P22748 1/20 0.55
CA6 P23280 1/20 0.55
CA5A P35218 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55

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
SCHEMBL999563 0.82 FAAH (0.60) F2TMPRSS4CYP1A2TP53CYP2D6
SCHEMBL13064454 0.80 CA1 (0.63) F2TMPRSS4CYP1A2TP53CYP2D6
Hydrochloric Acid SCHEMBL1056876 0.80 FAAH (0.58) F2TMPRSS4CYP1A2TP53CYP2D6
SCHEMBL19941500 0.78 CA12 (0.55) F2TMPRSS4CYP1A2TP53CYP2D6
SCHEMBL77781 0.78 F2 (1.00) F2TMPRSS4CYP1A2TP53CYP2D6
Hydrochloric Acid SCHEMBL6425431 0.77 F2 (1.00) F2TMPRSS4CYP1A2TP53CYP2D6
Hydrochloric Acid SCHEMBL25973 0.77 F2 (1.00) F2TMPRSS4CYP1A2TP53CYP2D6
Phenethylamine SCHEMBL77780 0.76 HTR2A (0.73) F2TMPRSS4CYP1A2TP53CYP2D6
SCHEMBL224548 0.75 TAAR1 (0.72) CYP1A2CA12CA1CA2CA4
Hydrochloric Acid SCHEMBL723369 0.75 F2 (0.92) F2TMPRSS4CYP1A2TP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1572185-A4 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS INSMED INC (US) 2009-02-25 EP disclosed
EP-1572185-A1 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS Insmed Incorporated (US) 2005-09-14 EP disclosed
US-20040198800-A1 Lipoxygenase inhibitors as hypolipidemic and anti-hypertensive agents INSMED INCORPORATED 2004-10-07 US disclosed
WO-2004058240-A1 LIPOXYGENASE INHIBITORS AS HYPOLIPIDEMIC AND ANTI-HYPERTENSIVE AGENTS INSMED INCORPORATED (US) 2004-07-15 WO disclosed
EP-0759066-B1 PROCESS FOR OBTAINING MICRO-ORGANISMS CONTAINING PEPTIDE AMIDASE, MICRO-ORGANISMS OBTAINED THEREWITH, PEPTIDE AMIDASES CONTAINED IN THEM AND USE THEREOF DEGUSSA (DE) 2001-06-27 EP disclosed
EP-1043394-A2 Combination containing prostate-specific-antigen (PSA) SERATEC Gesellschaft für Biotechnologie mbH (DE) 2000-10-11 EP disclosed
US-5985632-A Peptide amidase from xanthomonas DEGUSSA AKTIENGESELLSCHAFT (DE) 1999-11-16 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-20040198800-A1 Lipoxygenase inhibitors as hypolipidemic and anti-hypertensive agents ALOX5, ALOX15, ALOX15B F2 1916/4885TMPRSS4 1428/4885CYP1A2 316/4885

“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.