SCHEMBL20717577

SCHEMBL20717577

NC(=O)SCC(N)Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.55
ALPI P09923 1/20 0.52
PKM P14618 1/20 0.52
PTGS1 P23219 1/20 0.52
XIAP P98170 1/20 0.52
SLC7A5 Q01650 1/20 0.52
MMP2 P08253 3/20 0.49
ANPEP P15144 2/20 0.48
SRR Q9GZT4 2/20 0.47
SLC1A3 P43003 2/20 0.47
SLC1A2 P43004 2/20 0.47
SLC1A1 P43005 2/20 0.47
CYP1A2 P05177 1/20 0.46
SLC15A1 P46059 1/20 0.45
LAP3 P28838 3/20 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
SCHEMBL20717974 1.00 EPHX1 (0.55) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL20704313 0.98 EPHX1 (0.53) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL20704314 0.98 EPHX1 (0.53) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL1337302 0.84 ALPI (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL859558 0.84 ALPI (0.55) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL1256892 0.84 ALPI (0.55) EPHX1ALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL8837447 0.83 ALPI (0.53) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL10825611 0.77 EPHX1 (0.53) EPHX1ALPIPKMPTGS1XIAP
L-Phenylalaninol SCHEMBL28108894 0.77 EPHX1 (0.64) EPHX1ALPIPKMPTGS1XIAP
SCHEMBL20704590 0.77 CYP3A4 (0.47) EPHX1ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220401401-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF HERCULES CAPITAL, INC. 2022-12-22 US disclosed
US-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF WILMINGTON TRUST, NATIONAL ASSOCIATION 2021-04-01 US disclosed
WO-2019027941-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF JAZZ PHARMACEUTICALS INTERNATIONAL III LIMITED (BM) 2019-02-07 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 (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-20210093603-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS EPHX1 2559/4885ALPI 404/4885PKM 1029/4885
US-20220401401-A1 CARBAMOYL PHENYLALANINOL ANALOGS AND USES THEREOF DNPEP, CPS1, GLS EPHX1 2559/4885ALPI 404/4885PKM 1029/4885

“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.