SCHEMBL6493485

SCHEMBL6493485

CCc1cc(CC(NC(C)=O)C(=O)O)ccc1N

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.49
ITGA2B P08514 5/20 0.49
LMNA P02545 1/20 0.49
PTPN1 P18031 3/20 0.46
ITGB1 P05556 2/20 0.44
ITGAV P06756 1/20 0.44
ITGB5 P18084 1/20 0.44
GNPAT O15228 1/20 0.43
ITGA4 P13612 1/20 0.42
MME P08473 3/20 0.42
ACE P12821 3/20 0.42
CPA1 P15085 3/20 0.42
ACE2 Q9BYF1 3/20 0.42
PTPN2 P17706 1/20 0.42
FOLH1 Q04609 1/20 0.41
LNPEP Q9UIQ6 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
SCHEMBL6493488 1.00 ITGB3 (0.49) ITGB3ITGA2BLMNAPTPN1ITGB1
SCHEMBL6504048 0.88 PTPN1 (0.56) ITGB3ITGA2BLMNAPTPN1ITGB1
SCHEMBL3278180 0.87 LMNA (0.52) ITGB3ITGA2BLMNAPTPN1ITGB1
SCHEMBL3278174 0.87 LMNA (0.52) ITGB3ITGA2BLMNAPTPN1ITGB1
SCHEMBL4799488 0.83 LMNA (0.52) ITGB3ITGA2BLMNAPTPN1ITGB1
SCHEMBL4799500 0.83 LMNA (0.52) ITGB3ITGA2BLMNAPTPN1ITGB1
SCHEMBL7064332 0.82 ITGB3 (0.48) ITGB3ITGA2BLMNAPTPN1ITGB1
SCHEMBL6493086 0.80 TACR1 (0.43) ITGB3ITGA2BPTPN1PTPN2LNPEP
SCHEMBL28820766 0.79 LMNA (0.59) ITGB3ITGA2BLMNAITGB1ITGAV
SCHEMBL8407536 0.79 LMNA (0.59) ITGB3ITGA2BLMNAITGB1ITGAV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6972340-B2 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES (US) 2005-12-06 US disclosed
WO-2003072537-A2 SELECTIVE PROTEIN TYROSINE PHOSPHATATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-09-04 WO disclosed
EP-1313696-A2 AMINO(OXO)ACETIC ACID PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-05-28 EP disclosed
WO-2003020688-A1 SELECTIVE PROTEIN TYROSINE PHOSPHATASE INHIBITORS ABBOTT LABORATORIES (US) 2003-03-13 WO disclosed
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors ABBOTT LABORATORIES 2002-11-14 US disclosed
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors ABBVIE INC. 2002-06-13 US 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 (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-20020035137-A1 Amino (oxo) acetic acid protein tyrosine phosphatase inhibitors PPM1A, PTPRO, PTP4A1 ITGB3 4253/4885ITGA2B 3329/4885LMNA 4772/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D ITGB3 4411/4885ITGA2B 3497/4885LMNA 4758/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D ITGB3 4411/4885ITGA2B 3497/4885LMNA 4758/4885

“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.