SCHEMBL7064332

SCHEMBL7064332

CC(=O)NC(Cc1ccc(N)c(C(C)C)c1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.48
ITGA2B P08514 2/20 0.48
LMNA P02545 1/20 0.48
MME P08473 5/20 0.44
ACE P12821 5/20 0.44
CPA1 P15085 3/20 0.44
ACE2 Q9BYF1 3/20 0.44
THRB P10828 1/20 0.44
ITGB1 P05556 3/20 0.43
ITGAV P06756 1/20 0.43
ITGB5 P18084 1/20 0.43
FOLH1 Q04609 3/20 0.43
GNPAT O15228 1/20 0.43
ITGA4 P13612 2/20 0.42
PTPN1 P18031 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TACR1 P25103 1/20 0.40

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
SCHEMBL6501256 0.87 LNPEP (0.51) THRBALDH1A1TACR1
SCHEMBL6501251 0.87 LNPEP (0.51) THRBALDH1A1TACR1
SCHEMBL4799500 0.82 LMNA (0.52) ITGB3ITGA2BLMNAITGB1ITGAV
SCHEMBL6493488 0.82 ITGB3 (0.49) ITGB3ITGA2BLMNAMMEACE
SCHEMBL4799488 0.82 LMNA (0.52) ITGB3ITGA2BLMNAITGB1ITGAV
SCHEMBL6493485 0.82 ITGB3 (0.49) ITGB3ITGA2BLMNAMMEACE
SCHEMBL6504048 0.79 PTPN1 (0.56) ITGB3ITGA2BLMNAMMEACE
SCHEMBL28820766 0.78 LMNA (0.59) ITGB3ITGA2BLMNAMMEACE
SCHEMBL8407536 0.78 LMNA (0.59) ITGB3ITGA2BLMNAMMEACE
SCHEMBL27721631 0.77 ACACB (0.58) ITGB3ITGA2BLMNAMMEACE

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
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
US-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors ABBOTT LABORATORIES 2002-03-21 US disclosed
WO-2002018323-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2002-03-07 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 (1 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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 ITGB3 4253/4885ITGA2B 3329/4885LMNA 4772/4885

“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.