SCHEMBL3066934

SCHEMBL3066934

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CC(C(N)=O)C(=O)NC[C@@H](S)Cc2ccccc2F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 6/20 0.33
FEN1 P39748 6/20 0.33
RORC P51449 1/20 0.32
MALT1 Q9UDY8 1/20 0.32
CSNK2A2 P19784 1/20 0.32
CSNK2B P67870 1/20 0.32
CSNK2A1 P68400 1/20 0.32
CSNK2A3 Q8NEV1 1/20 0.32
EDNRA P25101 1/20 0.31
IDH1 O75874 1/20 0.31
CNR1 P21554 1/20 0.31

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
SCHEMBL2977806 0.92 FEN1 (0.33) ALOX5APFEN1MALT1
SCHEMBL3050706 0.90 EDNRA (0.33) RORCEDNRA
SCHEMBL2974143 0.89 ALOX5AP (0.36) ALOX5APFEN1
SCHEMBL2969352 0.88 ALDH1A1 (0.35) RORCEDNRA
SCHEMBL3066933 0.85 CNR1 (0.37) RORCCNR1
SCHEMBL2967734 0.85 ALOX5AP (0.40) ALOX5APFEN1
SCHEMBL3066936 0.84 TSHR (0.37) ALOX5APFEN1RORCIDH1CNR1
SCHEMBL2976766 0.82 TBXA2R (0.35) EDNRA
SCHEMBL2970929 0.81 F10 (0.34) RORCEDNRA
SCHEMBL2975552 0.80 ALOX5AP (0.37) ALOX5APFEN1MALT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC. (US) 2015-01-08 US disclosed
US-8735625-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2014-05-27 US disclosed
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-02-13 US disclosed
US-8394846-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-03-12 US disclosed
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-05-24 US disclosed
US-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2010-10-21 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 (4 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-20100267788-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885RORC 3996/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885RORC 3996/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885RORC 3996/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALOX5AP 2881/4885FEN1 4476/4885RORC 3996/4885

“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.