SCHEMBL2978573

SCHEMBL2978573

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FCER2 P06734 2/20 0.38
MMP1 P03956 2/20 0.36
ACE P12821 1/20 0.36
MME P08473 2/20 0.35
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
OXTR P30559 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
LNPEP Q9UIQ6 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
SCHEMBL3067947 0.92 FCER2 (0.37) FCER2MMP1ACEMMEOXTR
SCHEMBL2969632 0.90 FCER2 (0.46) FCER2MMP1ACEMME
SCHEMBL2979121 0.88 FCER2 (0.40) FCER2MMP1ACEMMEERAP2
SCHEMBL2978574 0.85 CD274 (0.34)
SCHEMBL2978569 0.84 ALDH1A1 (0.36) ACEMME
SCHEMBL2973536 0.82 FCER2 (0.38) FCER2MMP1ACEMMEOXTR
SCHEMBL2977231 0.82 FCER2 (0.45) FCER2MMP1ACEMME
SCHEMBL2977806 0.81 FEN1 (0.33) ALOX5APFEN1
SCHEMBL3054815 0.80 MME (0.40) FCER2ACEMME
SCHEMBL2976589 0.80 FCER2 (0.40) FCER2MMP1ACEMME

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 1264/4885MMP1 1347/4885ACE 7/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 FCER2 1264/4885MMP1 1347/4885ACE 7/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 FCER2 1056/4885MMP1 1816/4885ACE 10/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 FCER2 1264/4885MMP1 1347/4885ACE 7/4885

“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.