SCHEMBL489276

SCHEMBL489276

CCCCC(NCc1ccc(-c2ccccc2C(=O)O)cc1)C(=O)CNC(=O)C(CC(C)C)C(=O)NO

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 1/20 0.48
ERAP2 Q6P179 1/20 0.46
ERAP1 Q9NZ08 1/20 0.46
LNPEP Q9UIQ6 1/20 0.46
MMP8 P22894 6/20 0.45
MME P08473 7/20 0.44
AGTR1 P30556 7/20 0.44

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
SCHEMBL489725 0.86 MMP8 (0.49) ERAP2ERAP1LNPEPMMP8
SCHEMBL489832 0.84 MMP8 (0.53) LTB4R2ERAP2ERAP1LNPEPMMP8
SCHEMBL489537 0.83 LTB4R2 (0.50) LTB4R2MMEAGTR1
SCHEMBL489507 0.83 MME (0.55) LTB4R2MMEAGTR1
SCHEMBL489426 0.82 LTB4R2 (0.51) LTB4R2MMEAGTR1
SCHEMBL489468 0.81 ERAP2 (0.45) ERAP2ERAP1LNPEPMMP8
SCHEMBL489307 0.80 MME (0.56) LTB4R2MMEAGTR1
SCHEMBL489273 0.78 LTB4R2 (0.57) LTB4R2MMP8AGTR1
SCHEMBL489278 0.77 MMP8 (0.46) LTB4R2ERAP2ERAP1LNPEPMMP8
SCHEMBL1257769 0.74 AGTR1 (0.61) MMEAGTR1

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 816/4885ERAP2 374/4885ERAP1 300/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 816/4885ERAP2 374/4885ERAP1 300/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 LTB4R2 816/4885ERAP2 374/4885ERAP1 300/4885

“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.