SCHEMBL489307

SCHEMBL489307

CCCCC(NCc1ccc(-c2ccccc2C(=O)O)cc1)C(=O)CNC(=O)C(CS)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 18/20 0.56
AGTR1 P30556 15/20 0.56
LTB4R2 Q9NPC1 1/20 0.49
ALDH1A1 P00352 2/20 0.46
ACE P12821 2/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
ECE1 P42892 1/20 0.46
BLM P54132 1/20 0.46
NPEPPS P55786 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL489426 0.90 LTB4R2 (0.51) MMEAGTR1LTB4R2ACE
SCHEMBL489507 0.87 MME (0.55) MMEAGTR1LTB4R2
SCHEMBL489537 0.83 LTB4R2 (0.50) MMEAGTR1LTB4R2ACE
SCHEMBL841320 0.81 AGTR1 (0.54) MMEAGTR1LTB4R2
SCHEMBL489276 0.80 LTB4R2 (0.48) MMEAGTR1LTB4R2
SCHEMBL2963579 0.79 MME (0.57) MMEAGTR1LTB4R2ACE
SCHEMBL489305 0.78 LTB4R2 (0.61) MMEAGTR1LTB4R2
SCHEMBL4429523 0.77 MME (0.48) MMEAGTR1LTB4R2ALDH1A1ACE
SCHEMBL489309 0.76 MME (0.50) MMEAGTR1LTB4R2ALDH1A1ACE
SCHEMBL841319 0.76 LTB4R2 (0.58) MMEAGTR1LTB4R2

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 MME 5/4885AGTR1 1/4885LTB4R2 816/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 5/4885AGTR1 1/4885LTB4R2 816/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 5/4885AGTR1 1/4885LTB4R2 816/4885

“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.