SCHEMBL4886438

SCHEMBL4886438

CC(=O)N(O)C[C@H](N)Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.53
PKM P14618 1/20 0.53
PTGS1 P23219 1/20 0.53
XIAP P98170 1/20 0.53
SLC7A5 Q01650 1/20 0.53
EPHX1 P07099 1/20 0.52
LTA4H P09960 2/20 0.50
SLC1A3 P43003 1/20 0.49
SLC1A2 P43004 1/20 0.49
SLC1A1 P43005 1/20 0.49
MMP2 P08253 2/20 0.46
SLC15A1 P46059 1/20 0.46
ANPEP P15144 2/20 0.46
RNPEP Q9H4A4 1/20 0.44
DNPEP Q9ULA0 1/20 0.44
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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
SCHEMBL3508823 0.78 HPGD (0.57) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12379307 0.77 SLC6A4 (0.46) LTA4HMMP2SLC6A2MAOASLC6A4
SCHEMBL4582705 0.75 MEN1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL26430900 0.75 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5
Acetic Acid SCHEMBL8540401 0.75 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5
Acetic Acid SCHEMBL27733279 0.75 ALPI (0.60) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3699986 0.75 EPHX1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL3771287 0.75 EPHX1 (0.53) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL172932 0.74 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA
SCHEMBL447982 0.74 EPHX1 (0.64) EPHX1ANPEPSLC6A2TAAR1MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9198899-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE BIOPHARMA R&D IP, LLC (US) 2015-12-01 US disclosed
US-20140107120-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2014-04-17 US disclosed
US-8637676-B2 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. (US) 2014-01-28 US disclosed
EP-2162442-B1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS THERAVANCE INC (US) 2012-12-19 EP disclosed
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents THERAVANCE, INC. 2008-12-25 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-20140107120-A1 DUAL-ACTING BENZOIMIDAZOLE ANTIHYPERTENSIVE AGENTS AGTR1, REN, AGTR2 ALPI 1690/4885PKM 2608/4885PTGS1 889/4885
US-20080318951-A1 Dual-acting benzoimidazole antihypertensive agents AGTR1, REN, AGTR2 ALPI 1690/4885PKM 2608/4885PTGS1 889/4885

“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.