SCHEMBL489535

SCHEMBL489535

CCCCCN(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(=O)CNC(=O)C(S)C(C)CC

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 14/20 0.59
AGTR1 P30556 1/20 0.50
LPAR1 Q92633 6/20 0.49

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
SCHEMBL489423 0.87 LTB4R2 (0.62) LTB4R2AGTR1LPAR1
SCHEMBL489504 0.86 LTB4R2 (0.59) LTB4R2AGTR1LPAR1
SCHEMBL489305 0.83 LTB4R2 (0.61) LTB4R2AGTR1LPAR1
SCHEMBL489273 0.83 LTB4R2 (0.57) LTB4R2AGTR1LPAR1
SCHEMBL489537 0.77 LTB4R2 (0.50) LTB4R2AGTR1
SCHEMBL489540 0.74 LTB4R2 (0.48) LTB4R2AGTR1
SCHEMBL708803 0.74 LTB4R2 (0.89) LTB4R2AGTR1LPAR1
SCHEMBL840790 0.72 LTB4R2 (0.62) LTB4R2AGTR1
SCHEMBL709357 0.71 LTB4R2 (0.80) LTB4R2AGTR1LPAR1
SCHEMBL2963575 0.71 LTB4R2 (0.66) LTB4R2AGTR1

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-8236839-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-08-07 US disclosed
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-04-12 US disclosed
US-8106082-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-01-31 US disclosed
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-01-27 US disclosed
US-7834041-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2010-11-16 US disclosed
EP-2200975-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-06-30 EP disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 WO 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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 LTB4R2 816/4885AGTR1 1/4885LPAR1 220/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 816/4885AGTR1 1/4885LPAR1 220/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 816/4885AGTR1 1/4885LPAR1 220/4885

“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.