SCHEMBL3067949

SCHEMBL3067949

CC(=O)NS(=O)(=O)c1ccccc1-c1ccc(CNCCNC(=O)[C@@H](CS)Cc2ccccc2F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 6/20 0.38
PDCD1 Q15116 2/20 0.36
KMT2A Q03164 1/20 0.34
RORC P51449 1/20 0.34
ALOX5AP P20292 1/20 0.33
FEN1 P39748 1/20 0.33
ACLY P53396 1/20 0.33

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
SCHEMBL2978574 0.92 CD274 (0.34) CD274PDCD1KMT2A
SCHEMBL2977235 0.90 MME (0.43) CD274KMT2A
SCHEMBL3067945 0.89 ALDH1A1 (0.37) KMT2ARORC
SCHEMBL3054818 0.88 OPRM1 (0.41) CD274PDCD1ALOX5APFEN1
SCHEMBL2976591 0.88 CD274 (0.38) CD274
SCHEMBL839146 0.85 AGTR1 (0.37) RORCALOX5APFEN1
SCHEMBL839145 0.85 AGTR1 (0.37) RORCALOX5APFEN1
SCHEMBL3067947 0.85 FCER2 (0.37)
SCHEMBL2970180 0.83 ALOX5AP (0.41) ALOX5APFEN1
SCHEMBL3066936 0.82 TSHR (0.37) CD274PDCD1KMT2ARORCALOX5AP

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 4705/4885PDCD1 4782/4885KMT2A 3360/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CD274 4705/4885PDCD1 4782/4885KMT2A 3360/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CD274 4705/4885PDCD1 4782/4885KMT2A 3360/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 CD274 4705/4885PDCD1 4782/4885KMT2A 3360/4885

“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.