SCHEMBL1282887

SCHEMBL1282887

CCCCCN(Cc1ccc(OCc2ccccc2C(=O)O)cc1)C(=O)C(CC(=O)O)NC(=O)C(CS)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.37
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PLK1 P53350 1/20 0.36
ACE P12821 1/20 0.36
CPA1 P15085 1/20 0.36
ACE2 Q9BYF1 1/20 0.36
EPOR P19235 1/20 0.36
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
GPR88 Q9GZN0 1/20 0.35

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
SCHEMBL1281586 0.90 MMP1 (0.37) MME
SCHEMBL1281805 0.85 MMP8 (0.45)
SCHEMBL489599 0.83 MME (0.44) MME
SCHEMBL489600 0.83 MME (0.44) MME
SCHEMBL489447 0.81 CCKBR (0.37)
SCHEMBL489189 0.74 AGTR1 (0.38) MMELTB4R2
SCHEMBL4630064 0.73 CNR2 (0.62) LTB4R2LPAR1LPAR5
SCHEMBL489532 0.73 MME (0.40) MME
SCHEMBL489531 0.73 MME (0.40) MME
SCHEMBL4629865 0.72 LTB4R2 (0.63) LTB4R2LPAR1

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 2 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MME 5/4885PLG 1745/4885PRSS1 218/4885

“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.