SCHEMBL3067945

SCHEMBL3067945

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
HTT P42858 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
MAPT P10636 2/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 3/20 0.35
LMNA P02545 2/20 0.34
POLB P06746 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
PTGES O14684 1/20 0.34
CNR1 P21554 1/20 0.34
RORC P51449 1/20 0.34
MME P08473 3/20 0.33
ACE P12821 2/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL2978569 0.92 ALDH1A1 (0.36) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL2977229 0.90 MME (0.44) ALDH1A1MAPTKMT2AMMEACE
SCHEMBL3067949 0.89 CD274 (0.38) KMT2ARORC
SCHEMBL3054813 0.88 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL2976588 0.87 F2 (0.38) ALDH1A1HTTMAPTKMT2AMME
SCHEMBL3066933 0.83 CNR1 (0.37) ALDH1A1HTTSMN1; SMN2NPSR1MAPT
SCHEMBL2970178 0.83 BDKRB1 (0.41)
SCHEMBL3067947 0.83 FCER2 (0.37) MMEACE
SCHEMBL2969630 0.82 MME (0.43) ALDH1A1MAPTKMT2AMMEACE
SCHEMBL839145 0.82 AGTR1 (0.37) RORCMMEACE

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 ALDH1A1 1623/4885HTT 1274/4885SMN1; SMN2 4309/4885
US-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALDH1A1 1623/4885HTT 1274/4885SMN1; SMN2 4309/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALDH1A1 1623/4885HTT 1274/4885SMN1; SMN2 4309/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALDH1A1 1623/4885HTT 1274/4885SMN1; SMN2 4309/4885

“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.