SCHEMBL6504048

SCHEMBL6504048

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.56
ITGB3 P05106 3/20 0.46
ITGA2B P08514 3/20 0.46
LMNA P02545 1/20 0.46
ITGB1 P05556 2/20 0.42
ITGAV P06756 1/20 0.42
ITGB5 P18084 1/20 0.42
PTPRA P18433 1/20 0.42
GNPAT O15228 1/20 0.41
ITGA4 P13612 1/20 0.40
ACACB O00763 1/20 0.40
FOLH1 Q04609 1/20 0.39
PPARG P37231 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL6493485 0.88 ITGB3 (0.49) PTPN1ITGB3ITGA2BLMNAITGB1
SCHEMBL6493488 0.88 ITGB3 (0.49) PTPN1ITGB3ITGA2BLMNAITGB1
SCHEMBL4799500 0.80 LMNA (0.52) PTPN1ITGB3ITGA2BLMNAITGB1
SCHEMBL4799488 0.80 LMNA (0.52) PTPN1ITGB3ITGA2BLMNAITGB1
SCHEMBL7064332 0.79 ITGB3 (0.48) PTPN1ITGB3ITGA2BLMNAITGB1
SCHEMBL3278174 0.78 LMNA (0.52) PTPN1ITGB3ITGA2BLMNAITGB1
SCHEMBL3278180 0.78 LMNA (0.52) PTPN1ITGB3ITGA2BLMNAITGB1
SCHEMBL8407536 0.76 LMNA (0.59) ITGB3ITGA2BLMNAITGB1ITGAV
SCHEMBL28820766 0.76 LMNA (0.59) ITGB3ITGA2BLMNAITGB1ITGAV
SCHEMBL5061764 0.74 LMNA (0.61) 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 PTPN1 10/4885ITGB3 4253/4885ITGA2B 3329/4885
US-20020169157-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D PTPN1 10/4885ITGB3 4411/4885ITGA2B 3497/4885
US-20020072516-A1 Selective protein tyrosine phosphatatase inhibitors PPM1B, PPM1A, PPM1D PTPN1 10/4885ITGB3 4411/4885ITGA2B 3497/4885

“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.