SCHEMBL489469

SCHEMBL489469

CC(C)CC(C(=O)NO)C(=O)NCC(=O)CCCCCNCc1ccc(C(=O)O)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 8/20 0.45
ERAP2 Q6P179 1/20 0.43
ERAP1 Q9NZ08 1/20 0.43
LNPEP Q9UIQ6 1/20 0.43
ANPEP P15144 1/20 0.39
ECE1 P42892 2/20 0.37

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
SCHEMBL489278 0.81 MMP8 (0.46) MMP8ERAP2ERAP1LNPEP
SCHEMBL489727 0.79 MMP8 (0.48) MMP8ERAP2ERAP1LNPEP
SCHEMBL489468 0.76 ERAP2 (0.45) MMP8ERAP2ERAP1LNPEPANPEP
SCHEMBL489466 0.73 MMP8 (0.45) MMP8ERAP2ERAP1LNPEPECE1
SCHEMBL2393693 0.70 ERAP2 (0.42) MMP8ERAP2ERAP1LNPEP
SCHEMBL1257949 0.69 AGTR1 (0.49) MMP8ERAP2ERAP1LNPEP
SCHEMBL9098011 0.69 SLC2A1 (0.42)
SCHEMBL8508598 0.66 MMP8 (0.90) MMP8ERAP2ERAP1LNPEP
SCHEMBL28053850 0.65 KMT2A (0.47)
SCHEMBL489540 0.64 LTB4R2 (0.48)

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 MMP8 1142/4885ERAP2 374/4885ERAP1 300/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MMP8 1142/4885ERAP2 374/4885ERAP1 300/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MMP8 1142/4885ERAP2 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.