SCHEMBL3050707

SCHEMBL3050707

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNCCC(=O)NC[C@H](S)Cc2ccccc2)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
OPRK1 P41145 2/20 0.35
CSNK2A1 P68400 2/20 0.34
MMP2 P08253 1/20 0.34
RORC P51449 2/20 0.34
CTSD P07339 2/20 0.33
BACE1 P56817 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
ACE P12821 1/20 0.33
PDCD1 Q15116 1/20 0.33
ITGB3 P05106 1/20 0.32
ITGAV P06756 1/20 0.32

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
SCHEMBL2969355 0.94 KMT2A (0.36) CD274CSNK2A1ALDH1A1KMT2A
SCHEMBL2976768 0.91 OPRK1 (0.35) TRPV1OPRK1CSNK2A1MMP2CTSD
SCHEMBL3050703 0.90 TRPV1 (0.37) TRPV1OPRK1MMP2RORCALDH1A1
SCHEMBL3066936 0.90 TSHR (0.37) CD274OPRK1RORCALDH1A1KMT2A
SCHEMBL3060063 0.87 OPRM1 (0.44) OPRK1
SCHEMBL2978226 0.86 KMT2A (0.35) KMT2A
SCHEMBL2970931 0.86 RXFP1 (0.35) CD274RORCCTSDBACE1KMT2A
SCHEMBL2969350 0.85 PLA2G1B (0.37) RORCALDH1A1KMT2A
SCHEMBL2969409 0.85 OPRM1 (0.40) OPRK1ALDH1A1KMT2A
SCHEMBL841749 0.83 AGTR1 (0.39) RORCALDH1A1

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 CD274 4705/4885TRPV1 442/4885OPRK1 133/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CD274 4705/4885TRPV1 442/4885OPRK1 133/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CD274 4705/4885TRPV1 442/4885OPRK1 133/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CD274 4705/4885TRPV1 442/4885OPRK1 133/4885

“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.