SCHEMBL489363

SCHEMBL489363

Cc1cccc(C(=O)O)c1C(=O)Nc1ccc(CNCCCCCC(=O)CNC(=O)C(CS)CC(C)C)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 1/20 0.37
MME P08473 10/20 0.37
AGTR1 P30556 10/20 0.37
SLC2A1 P11166 1/20 0.34
ITGB1 P05556 3/20 0.34
ITGA4 P13612 3/20 0.34
ITGA2 P17301 1/20 0.34
ITGB7 P26010 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC11 Q96DB2 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
FFAR1 O14842 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
SCHEMBL489513 0.90 SCN8A (0.38) SCN8AMMEAGTR1SLC2A1ITGB1
SCHEMBL489359 0.80 MME (0.41) MMEAGTR1ITGB1ITGA4ITGA2
SCHEMBL489354 0.77 MME (0.39) MMEAGTR1HDAC3HDAC4HDAC1
SCHEMBL489309 0.71 MME (0.50) MMEAGTR1HDAC3HDAC1HDAC2
SCHEMBL489509 0.71 MME (0.51) MMEAGTR1HDAC3HDAC1HDAC2
SCHEMBL489355 0.70 MME (0.38) MMEAGTR1HDAC3HDAC4HDAC1
SCHEMBL489511 0.70 MME (0.38) MMEAGTR1ITGB1ITGA4ITGA2
SCHEMBL489278 0.69 MMP8 (0.46) MMEAGTR1HDAC3HDAC1HDAC2
SCHEMBL489727 0.68 MMP8 (0.48) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL489508 0.67 LTB4R2 (0.39) MMEAGTR1ITGB1ITGA4ITGA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (2 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 SCN8A 1111/4885MME 5/4885AGTR1 1/4885
US-20110021585-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 SCN8A 1111/4885MME 5/4885AGTR1 1/4885

“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.