SCHEMBL489305

SCHEMBL489305

CCCCCN(Cc1ccc(-c2ccccc2C(=O)O)cc1)C(=O)CNC(=O)C(CS)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 10/20 0.61
AGTR1 P30556 5/20 0.54
MME P08473 4/20 0.54
LPAR1 Q92633 6/20 0.51

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 0.90 LTB4R2 (0.62) LTB4R2AGTR1LPAR1
SCHEMBL2963575 0.88 LTB4R2 (0.66) LTB4R2AGTR1MME
SCHEMBL489504 0.87 LTB4R2 (0.59) LTB4R2AGTR1MMELPAR1
SCHEMBL489103 0.85 AGTR1 (0.59) LTB4R2AGTR1MME
SCHEMBL4429524 0.84 LTB4R2 (0.55) LTB4R2AGTR1MME
SCHEMBL489535 0.83 LTB4R2 (0.59) LTB4R2AGTR1LPAR1
SCHEMBL841319 0.82 LTB4R2 (0.58) LTB4R2AGTR1MME
SCHEMBL489833 0.82 LTB4R2 (0.45) LTB4R2AGTR1MME
SCHEMBL841320 0.81 AGTR1 (0.54) LTB4R2AGTR1MME
SCHEMBL489273 0.80 LTB4R2 (0.57) LTB4R2AGTR1LPAR1

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 6 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
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 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-20090093417-A1 Dual-acting antihypertensive agents AGTR1, REN, AGTR2 LTB4R2 816/4885AGTR1 1/4885MME 5/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 816/4885AGTR1 1/4885MME 5/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 816/4885AGTR1 1/4885MME 5/4885

“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.