SCHEMBL489777

SCHEMBL489777

CCCCCN(Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1)C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(CC(C)C)C(=O)NO

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 7/20 0.39
MMP2 P08253 1/20 0.35
MMP9 P14780 1/20 0.35
MMP1 P03956 3/20 0.34
AGTR1 P30556 3/20 0.34
AGTR2 P50052 1/20 0.34
ECE1 P42892 3/20 0.33
ACE P12821 1/20 0.33
AVPR1A P37288 2/20 0.33
FCER2 P06734 1/20 0.33

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
SCHEMBL489043 0.96 MMP8 (0.44) MMP8AGTR1AGTR2ECE1AVPR1A
SCHEMBL489263 0.90 MMP8 (0.43) MMP8AGTR1AGTR2ECE1
SCHEMBL489488 0.90 MMP8 (0.43) MMP8AGTR1AGTR2ECE1
SCHEMBL489265 0.90 MMP8 (0.43) MMP8AGTR1AGTR2ECE1
SCHEMBL489289 0.90 MMP8 (0.43) MMP8AGTR1AGTR2ECE1
SCHEMBL489717 0.90 MMP1 (0.39) MMP8MMP2MMP9MMP1AGTR1
SCHEMBL489109 0.89 CCKBR (0.41) MMP8AGTR1AGTR2
SCHEMBL489110 0.89 CCKBR (0.41) MMP8AGTR1AGTR2
SCHEMBL489864 0.89 MMP8 (0.36) MMP8AGTR1AGTR2
SCHEMBL1282375 0.88 MMP8 (0.37) MMP8AGTR1AGTR2ECE1

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 1142/4885MMP2 797/4885MMP9 1185/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MMP8 1142/4885MMP2 797/4885MMP9 1185/4885
US-20120088919-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 MMP8 1142/4885MMP2 797/4885MMP9 1185/4885

“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.