SCHEMBL19953645

SCHEMBL19953645

COC(=O)[C@H](Cc1ccccc1Br)NC(=O)OC(C)(C)C

nearest known ligand 0.68

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 11/20 0.68
CTSK P43235 10/20 0.68
KLK5 Q9Y337 1/20 0.52
TACR1 P25103 2/20 0.52
CTSL P07711 3/20 0.46
CTSB P07858 2/20 0.46
ACE P12821 1/20 0.45
CACNA1B Q00975 1/20 0.44
POLB P06746 1/20 0.44
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL30825609 0.89 CTSS (0.55) CTSSCTSKKLK5TACR1CTSL
SCHEMBL3560345 0.88 CTSS (0.73) CTSSCTSKCTSLCTSBACE
SCHEMBL21243755 0.88 CTSS (0.73) CTSSCTSKCTSLCTSBACE
SCHEMBL3560344 0.88 CTSS (0.73) CTSSCTSKCTSLCTSBACE
SCHEMBL29363717 0.88 CTSS (0.73) CTSSCTSKCTSLCTSBACE
SCHEMBL16267699 0.88 CTSS (0.52) CTSSCTSKTACR1POLB
SCHEMBL9849175 0.88 CTSS (0.52) CTSSCTSKTACR1POLB
SCHEMBL9849180 0.88 CTSS (0.52) CTSSCTSKTACR1POLB
SCHEMBL31418360 0.86 CTSS (0.73) CTSSCTSKCTSLCTSBPPARG
SCHEMBL24309187 0.86 TACR1 (0.55) CTSSCTSKKLK5TACR1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
CN-113825748-A Antimicrobial compounds and methods 库扎环球有限责任公司 2021-12-21 CN disclosed
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2021-01-28 US disclosed
US-10604520-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2020-03-31 US disclosed
EP-3509590-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2019-07-17 EP disclosed
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 US disclosed
CN-107848962-A UREA DERIVATIVE OR PHARMACOLOGICALLY ACCEPTABLE SALT THEREOF 杏林制药株式会社 2018-03-27 CN disclosed
WO-2018049068-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2018-03-15 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 (5 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-10604520-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL CTSS 2248/4885CTSK 2574/4885KLK5 2145/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL CTSS 2248/4885CTSK 2574/4885KLK5 2145/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL CTSS 2248/4885CTSK 2574/4885KLK5 2145/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL CTSS 2248/4885CTSK 2574/4885KLK5 2145/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL CTSS 2248/4885CTSK 2574/4885KLK5 2145/4885

“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.