SCHEMBL3819618

SCHEMBL3819618

COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
LNPEP Q9UIQ6 1/20 0.57
MDM4 O15151 1/20 0.54
MDM2 Q00987 1/20 0.54
ITGB1 P05556 9/20 0.54
ITGA4 P13612 8/20 0.54
ITGB7 P26010 2/20 0.54
ITGA2 P17301 1/20 0.54
KDR P35968 1/20 0.53
CDK2 P24941 2/20 0.52
KMT2A Q03164 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
ITGA5 P08648 1/20 0.52
NLRP3 Q96P20 1/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50

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
SCHEMBL5786216 1.00 TSHR (0.57) TSHRLNPEPMDM4MDM2ITGB1
SCHEMBL8227052 1.00 TSHR (0.57) TSHRLNPEPMDM4MDM2ITGB1
SCHEMBL918854 0.90 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL13726463 0.90 ATM (0.59) ITGB1ITGA4ITGB7ITGA2NOS3
SCHEMBL4928013 0.90 ITGB1 (0.54) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL297398 0.90 ATM (0.61) ITGB1ITGA4ITGB7ITGA2KMT2A
SCHEMBL4067300 0.89 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL20025228 0.89 ITGB1 (0.59) ITGB1ITGA4ITGB7ITGA2ITGA5
SCHEMBL1240417 0.89 ITGB1 (0.53) LNPEPITGB1ITGA4ITGB7ITGA2
SCHEMBL1324020 0.89 ITGB1 (0.53) ITGB1ITGA4ITGB7ITGA2ITGA5

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 26 patents — showing the first 20. 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-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. (US) 2023-11-16 US disclosed
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
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US disclosed
US-11673887-B2 N-acyl amino acid compounds and methods of use PLIANT THERAPEUTICS, INC. (US) 2023-06-13 US 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
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS, INC. 2018-04-05 US disclosed
EP-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 EP disclosed
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
EP-1984330-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2008-10-29 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007091046-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
WO-2007091046-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2007-08-16 WO disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 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 (6 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 TSHR 2914/4885LNPEP 120/4885MDM4 4871/4885
US-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B TSHR 2972/4885LNPEP 844/4885MDM4 3661/4885
US-11673887-B2 N-acyl amino acid compounds and methods of use ITGA1, ITGB1, ITGAL TSHR 2914/4885LNPEP 120/4885MDM4 4871/4885
US-20210024516-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TSHR 2914/4885LNPEP 120/4885MDM4 4871/4885
US-20230365556-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TSHR 2914/4885LNPEP 120/4885MDM4 4871/4885
US-20180093984-A1 N-ACYL AMINO ACID COMPOUNDS AND METHODS OF USE ITGA1, ITGB1, ITGAL TSHR 2914/4885LNPEP 120/4885MDM4 4871/4885

“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.