SCHEMBL7064741

SCHEMBL7064741

CCc1cc(C[C@H](NC(C)=O)C(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)NC)ccc1N

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.63
PTPN2 P17706 1/20 0.49
MMP1 P03956 2/20 0.46
MMP3 P08254 1/20 0.46
FCER2 P06734 1/20 0.43
SSTR3 P32745 1/20 0.41
LMNA P02545 1/20 0.40
CA2 P00918 1/20 0.39
GNPAT O15228 1/20 0.39
CTSL P07711 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
BACE1 P56817 1/20 0.39
MMP2 P08253 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL7062118 1.00 PTPN1 (0.63) PTPN1PTPN2MMP1MMP3FCER2
SCHEMBL7062116 1.00 PTPN1 (0.63) PTPN1PTPN2MMP1MMP3FCER2
SCHEMBL7570995 0.81 PTPN1 (0.71) PTPN1PTPN2MMP1FCER2CTSL
SCHEMBL7571001 0.81 PTPN1 (0.71) PTPN1PTPN2MMP1FCER2CTSL
SCHEMBL7576946 0.81 PTPN1 (0.71) PTPN1PTPN2MMP1FCER2CTSL
SCHEMBL7568932 0.78 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7065596 0.78 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7065601 0.78 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL6493488 0.76 ITGB3 (0.49) PTPN1PTPN2LMNAGNPAT
SCHEMBL6493485 0.76 ITGB3 (0.49) PTPN1PTPN2LMNAGNPAT

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 PTPN1 10/4885PTPN2 29/4885MMP1 646/4885

“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.