SCHEMBL3925152

SCHEMBL3925152

CC(C)(C)OC(=O)NC(Cc1ccc(Oc2ccccc2)cc1)C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 2/20 0.65
ITGB3 P05106 1/20 0.65
ITGA2B P08514 1/20 0.65
PTPN1 P18031 3/20 0.60
SCN9A Q15858 1/20 0.60
MME P08473 1/20 0.59
CPA1 P15085 1/20 0.59
ACE2 Q9BYF1 1/20 0.59
CTSS P25774 4/20 0.58
CTSK P43235 3/20 0.58
CTSB P07858 2/20 0.58
CTSL P07711 1/20 0.58
MMP13 P45452 1/20 0.57
PPARA Q07869 5/20 0.57
PPARG P37231 4/20 0.57
HDAC8 Q9BY41 1/20 0.56
PPARD Q03181 2/20 0.55
ABCB1 P08183 1/20 0.53
BCL2 P10415 1/20 0.53

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
SCHEMBL3923929 1.00 ACE (0.65) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL3923937 1.00 ACE (0.65) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL2290444 1.00 ACE (0.65) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL2291767 0.94 ITGB3 (0.71) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL2291775 0.94 ITGB3 (0.71) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL2289496 0.94 PPARA (0.66) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL4739863 0.93 ACE (0.60) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL2296993 0.92 PPARA (0.67) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL2290585 0.90 ITGB3 (0.62) ACEITGB3ITGA2BPTPN1SCN9A
SCHEMBL2290589 0.90 ITGB3 (0.62) ACEITGB3ITGA2BPTPN1SCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12522592-B2 ERAP inhibitors UNIVERSITE DE LILLE (FR) 2026-01-13 US disclosed
US-20240101542-A1 ERAP INHIBITORS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2024-03-28 US disclosed
CN-117043157-A ERAP inhibitors 里尔大学 2023-11-10 CN disclosed
WO-2009009035-A1 SOMATOSTATIN ANALOG AND USES THEREOF IPSEN PHARMA S.A.S. (FR) 2009-01-15 WO disclosed
EP-1233013-B1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO KK (JP) 2007-02-28 EP disclosed
US-7160874-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-01-09 US disclosed
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine AJINOMOTO CO., INC. (JP) 2005-03-31 US disclosed
US-6855706-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-02-15 US disclosed
US-20030149083-A1 Phenylalanine derivatives AJINOMOTO CO. INC (JP) 2003-08-07 US disclosed
EP-1233013-A1 NOVEL PHENYLALANINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2002-08-21 EP 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-20240101542-A1 ERAP INHIBITORS ERAP2, ERAP1, ERMP1 ACE 1149/4885ITGB3 4651/4885ITGA2B 4289/4885
US-20030149083-A1 Phenylalanine derivatives ITGB4, ITGA4, ITGB3 ACE 1910/4885ITGB3 3/4885ITGA2B 15/4885
US-20050070485-A1 Antagonistic activity to alpha 4 integrin; treating asthma, rheumatoid arthritis; N-[1-N,N-dimethylaminocarbonylcyclopropane-1-ylcarbonyl]-4-({[5-chloro-2-(methylthio)pyrimidine-4-yl]carbonyl}-amino)-L-phenylalanine ITGB4, ITGA4, ITGAL ACE 2440/4885ITGB3 8/4885ITGA2B 19/4885

“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.