Sugi Predict

Sugi Predict / Compounds / SCHEMBL839959

SCHEMBL839959

SCHEMBL839959

CCCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)CC(NC(=O)CNC(=O)C(Cc1ccccc1)C(=O)NO)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 10/20 0.42
▸ LTB4R2 Q9NPC1 5/20 0.40
▸ ABCB11 O95342 1/20 0.38
▸ GP6 Q9HCN6 1/20 0.38
▸ MME P08473 2/20 0.36

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
SCHEMBL841062 0.93 AGTR1 (0.45) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL840619 0.86 AGTR1 (0.46) AGTR1LTB4R2ABCB11GP6
SCHEMBL841345 0.85 AGTR1 (0.45) AGTR1LTB4R2ABCB11GP6
SCHEMBL839972 0.85 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6MME
SCHEMBL840869 0.82 AGTR1 (0.52) AGTR1LTB4R2ABCB11GP6
SCHEMBL840227 0.82 MMP8 (0.41) AGTR1LTB4R2MME
SCHEMBL839449 0.81 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6
SCHEMBL839448 0.81 AGTR1 (0.49) AGTR1LTB4R2ABCB11GP6
SCHEMBL839955 0.79 MMP8 (0.43) AGTR1LTB4R2MME
SCHEMBL7270083 0.78 AGTR1 (0.54) AGTR1LTB4R2ABCB11GP6

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 8 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-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 (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-20150011597-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885LTB4R2 698/4885ABCB11 1364/4885
US-20140046075-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885LTB4R2 698/4885ABCB11 1364/4885
US-20080188533-A1 2-Mercaptomethyl-4-methylpentanoic Acid (2-Butyryl-[2'-(1H-tetrazol-5-yl)biphenyl-4-ylmethyl]aminoethyl)amide MME, AGTR1, AGTR2 AGTR1 2/4885LTB4R2 289/4885ABCB11 2115/4885
US-20120129900-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 AGTR1 1/4885LTB4R2 698/4885ABCB11 1364/4885

“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.