SCHEMBL1458342

SCHEMBL1458342

CC(C)CC(C(=O)O)C(=O)NOCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.55
CTSB P07858 1/20 0.53
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
PSMB5 P28074 1/20 0.48
CTSK P43235 2/20 0.48
MME P08473 1/20 0.48
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL1458597 0.88 CTSB (0.57) ECE1CTSBNPC1RAB9ACTSK
SCHEMBL9069761 0.84 NPC1 (0.54) ECE1NPC1RAB9A
SCHEMBL10878767 0.84 MME (0.62) ECE1CTSBMME
SCHEMBL1258101 0.84 NPC1 (0.57) NPC1RAB9AMME
SCHEMBL6798495 0.81 ECE1 (0.45) ECE1CTSBNPC1RAB9APSMB5
SCHEMBL27576935 0.81 NPC1 (0.57) NPC1RAB9APSMB5
SCHEMBL7410539 0.81 LTA4H (0.58) NPC1RAB9A
SCHEMBL8872910 0.80 ECE1 (0.52) ECE1CTSBNPC1RAB9APSMB5
SCHEMBL8872913 0.80 ECE1 (0.52) ECE1CTSBNPC1RAB9APSMB5
SCHEMBL7391442 0.80 NPC1 (0.53) CTSBNPC1RAB9A

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501798-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501798-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-8501798-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2013-08-06 US disclosed
US-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2012-10-11 US disclosed
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
US-8227497-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2012-07-24 US disclosed
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2011-10-13 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
US-7989484-B2 Dual-acting antihypertensive agents THERAVANCE, INC. (US) 2011-08-02 US disclosed
EP-2297113-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2011-03-23 EP disclosed
WO-2009134741-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-11-05 WO disclosed
WO-2009134741-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2009-11-05 WO disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US disclosed
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE BIOPHARMA R&D IP, LLC 2009-10-29 US disclosed
US-4738803-A ENZYME INHIBITORS ROQUES BERNARD (FR) 1988-04-19 US disclosed
US-4618708-A ENKEPHALINASE INHIBITOR, ANALGESICS, ANTIDEPRESSANT, ANTIDIARRHEA, OR HYPOTENSIVE AGENT ROQUES BERNARD (FR) 1986-10-21 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-20120258992-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ECE1 34/4885CTSB 436/4885NPC1 1755/4885
US-20110251249-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ECE1 34/4885CTSB 436/4885NPC1 1755/4885
US-20090270473-A1 DUAL-ACTING ANTIHYPERTENSIVE AGENTS AGTR1, AGTR2, REN ECE1 34/4885CTSB 436/4885NPC1 1755/4885

“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.