SCHEMBL7367519

SCHEMBL7367519

O=C(O)C(Cc1ccc(P(=O)(O)O)cc1)NCF

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MME P08473 3/20 0.46
ECE1 P42892 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PTPN1 P18031 2/20 0.42
ALDH1A1 P00352 1/20 0.38
CA2 P00918 1/20 0.38
ACE P12821 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
SCHEMBL7364506 0.86 PTPN1 (0.43) MMEECE1MEN1KMT2APTPN1
SCHEMBL3705739 0.82 MME (0.43) MMEECE1PTPN1ALDH1A1CA2
SCHEMBL3705736 0.82 MME (0.43) MMEECE1PTPN1ALDH1A1CA2
SCHEMBL9545901 0.82 MME (0.43) MMEECE1PTPN1ALDH1A1CA2
SCHEMBL7364721 0.81 PTPN1 (0.43) MMEPTPN1ACE
SCHEMBL852956 0.81 PTPN1 (0.43) MMEPTPN1ACE
SCHEMBL18129829 0.81 PTPN1 (0.43) MMEPTPN1ACE
SCHEMBL1081372 0.81 FOLH1 (0.54) MMEMEN1KMT2ACA2ACE
SCHEMBL31533361 0.81 FOLH1 (0.54) MMEMEN1KMT2ACA2ACE
SCHEMBL31533362 0.81 FOLH1 (0.54) MMEMEN1KMT2ACA2ACE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US claimed
US-6307090-B1 OXALYL ENDCAPPED; CONTAINING A BIVALENT RADICAL OF PHOSPHOTYROSINE OR A PHOSPHOTYROSINE MIMETIC THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES 2001-10-23 US disclosed
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed
WO-1997007131-A1 ACYLATED OLIGOPEPTIDES CONTAINING PHOSPHOTYROSINE AS INHIBITORS OF PROTEIN TYROSINE KINASES NOVARTIS AG (CH) 1997-02-27 WO disclosed