Sugi Predict

Sugi Predict / Compounds / SCHEMBL840247

SCHEMBL840247

SCHEMBL840247

CCCC(=O)N(CCC(=O)N(CCS)Cc1ccccc1)Cc1ccc(-c2ccccc2S(=O)(=O)NC(=O)C(C)O)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 3/20 0.40
▸ AGTR1 P30556 2/20 0.40
▸ CA12 O43570 6/20 0.35
▸ CA1 P00915 6/20 0.35
▸ CA2 P00918 6/20 0.35
▸ CA4 P22748 4/20 0.35
▸ LTB4R2 Q9NPC1 2/20 0.35
▸ LIMK1 P53667 2/20 0.35
▸ LIMK2 P53671 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ PSEN1 P49768 1/20 0.33
▸ PSEN2 P49810 1/20 0.33
▸ APH1B Q8WW43 1/20 0.33
▸ NCSTN Q92542 1/20 0.33
▸ APH1A Q96BI3 1/20 0.33
▸ PSENEN Q9NZ42 1/20 0.33
▸ TBXA2R P21731 1/20 0.33
▸ PTGER1 P34995 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ PTGFR P43088 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
SCHEMBL840649 0.95 AGTR1 (0.38) AGTR2AGTR1LTB4R2LIMK1LIMK2
SCHEMBL841111 0.91 AGTR1 (0.38) AGTR2AGTR1HTTPSEN1PSEN2
SCHEMBL841750 0.90 AGTR1 (0.41) AGTR2AGTR1CA12CA1CA2
SCHEMBL840059 0.88 AGTR2 (0.48) AGTR2AGTR1CA12CA1CA2
SCHEMBL2968095 0.88 AGTR2 (0.41) AGTR2AGTR1LIMK2TBXA2RPTGER1
SCHEMBL840356 0.88 AGTR2 (0.44) AGTR2AGTR1LTB4R2LIMK1LIMK2
SCHEMBL839142 0.86 MME (0.40) AGTR2AGTR1
SCHEMBL839141 0.86 MME (0.40) AGTR2AGTR1
SCHEMBL840246 0.86 AGTR1 (0.39) AGTR2AGTR1
SCHEMBL840245 0.86 AGTR1 (0.39) AGTR2AGTR1

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-8143298-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-03-27 — — 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 (3 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-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR2 3/4885AGTR1 1/4885CA12 4750/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 AGTR2 3/4885AGTR1 2/4885CA12 4575/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR2 3/4885AGTR1 1/4885CA12 4750/4885

“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.