Sugi Predict

Sugi Predict / Compounds / SCHEMBL2976343

SCHEMBL2976343

SCHEMBL2976343

CC(C)C[C@H](CS)NC(=O)C(Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)[C@H](C)O)c(Cl)c1)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FCER2 P06734 1/20 0.35
▸ PSMB5 P28074 3/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ PTGER1 P34995 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGFR P43088 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGIR P43119 1/20 0.34
▸ PTGDR Q13258 1/20 0.34
▸ LARS1 Q9P2J5 1/20 0.33
▸ EDNRA P25101 1/20 0.33
▸ ALOX5AP P20292 1/20 0.33
▸ FEN1 P39748 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
SCHEMBL2971476 0.93 FCER2 (0.35) FCER2PSMB5EDNRAALOX5APFEN1
SCHEMBL2978028 0.89 FCER2 (0.39) FCER2TBXA2RPTGER1PTGER4PTGFR
SCHEMBL2976349 0.84 OPRM1 (0.33) PSMB5TBXA2RPTGER1PTGER4PTGFR
SCHEMBL2976341 0.83 PSMB5 (0.33) PSMB5TBXA2RPTGER1PTGER4PTGFR
SCHEMBL2974060 0.81 ALOX5AP (0.44) ALOX5APFEN1
SCHEMBL2976766 0.81 TBXA2R (0.35) PSMB5TBXA2RPTGER1PTGER4PTGFR
SCHEMBL2968264 0.81 FCER2 (0.40) FCER2EDNRAALOX5APFEN1
SCHEMBL2969632 0.80 FCER2 (0.46) FCER2
SCHEMBL2978222 0.79 PSMB5 (0.33) PSMB5TBXA2RPTGER1PTGER4PTGFR
SCHEMBL2971328 0.78 F10 (0.34) TBXA2RPTGER1PTGER4PTGFRPTGER3

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
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
US-7777077-B2 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE, INC. (US) 2010-08-17 — — US disclosed
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide THERAVANCE BIOPHARMA R&D IP, LLC 2008-08-07 — — 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 FCER2 1264/4885PSMB5 369/4885TBXA2R 97/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 FCER2 1264/4885PSMB5 369/4885TBXA2R 97/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 FCER2 1056/4885PSMB5 124/4885TBXA2R 133/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 FCER2 1264/4885PSMB5 369/4885TBXA2R 97/4885

“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.