SCHEMBL489509

SCHEMBL489509

CC(C)C(CS)C(=O)NCC(=O)CCCCCNCc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MME P08473 14/20 0.51
AGTR1 P30556 14/20 0.51
LTB4R2 Q9NPC1 4/20 0.47
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39

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
SCHEMBL489309 0.85 MME (0.50) MMEAGTR1LTB4R2HDAC3HDAC1
SCHEMBL489427 0.85 LTB4R2 (0.46) MMEAGTR1LTB4R2FNTAFNTB
SCHEMBL489540 0.85 LTB4R2 (0.48) MMEAGTR1LTB4R2HDAC3HDAC1
SCHEMBL489278 0.83 MMP8 (0.46) MMEAGTR1LTB4R2HDAC3HDAC1
SCHEMBL489513 0.81 SCN8A (0.38) MMEAGTR1HDAC3HDAC1HDAC2
SCHEMBL489507 0.77 MME (0.55) MMEAGTR1LTB4R2
SCHEMBL489504 0.73 LTB4R2 (0.59) MMEAGTR1LTB4R2
SCHEMBL489363 0.71 SCN8A (0.37) MMEAGTR1HDAC3HDAC1HDAC2
SCHEMBL2971529 0.70 MME (0.40) MMEAGTR1HDAC1
SCHEMBL489834 0.69 MMP8 (0.53) MMEAGTR1LTB4R2HDAC3HDAC1

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 8 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
EP-2200975-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-06-30 EP disclosed
US-20090093417-A1 Dual-acting antihypertensive agents THERAVANCE, INC. 2009-04-09 US disclosed
WO-2009035543-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-03-19 WO 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.