SCHEMBL6316713

SCHEMBL6316713

CC(=O)Nc1ccccc1C(=O)NCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB7A P51149 3/20 0.45
PTPN1 P18031 6/20 0.43
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
LMNA P02545 2/20 0.43
RAB9A P51151 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PTPN2 P17706 3/20 0.41
PTPRC P08575 2/20 0.41
PTPRB P23467 2/20 0.41
PTPRE P23469 2/20 0.41
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TNF P01375 1/20 0.39
NOD1 Q9Y239 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL6317112 0.86 PTPN1 (0.44) RAB7APTPN1KMT2AMEN1LMNA
SCHEMBL6206528 0.85 RAB7A (0.55) RAB7APTPN1KMT2AMEN1LMNA
SCHEMBL6315826 0.84 RAB7A (0.46) RAB7APTPN1KMT2AMEN1LMNA
SCHEMBL6314403 0.83 PTPN1 (0.42) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL5836808 0.81 PTPN1 (0.45) RAB7APTPN1KMT2AMEN1PTPN2
SCHEMBL6318283 0.81 POLB (0.49) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6317364 0.80 LMNA (0.52) RAB7APTPN1KMT2AMEN1LMNA
SCHEMBL6315837 0.80 MAPT (0.53) RAB7APTPN1KMT2AMEN1LMNA
SCHEMBL6316036 0.80 PTPN1 (0.47) RAB7APTPN1LMNAPTPN2PTPRC
SCHEMBL6322930 0.80 PTPN1 (0.47) RAB7APTPN1LMNAPTPN2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US claimed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US claimed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP claimed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 WO claimed
US-6951878-B2 Benzo[b]thiophenyl or tetrahydro-benzo[b]thiophenyl modulators of protein tyrosine phosphatases (PTPases) NOVO NORDISK A/S (DK) 2005-10-04 US disclosed
US-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) MOLLER NIELS PETER HUNDAHL (DK) 2003-04-10 US disclosed
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed
US-6262044-B1 CONTAINING AN AMIDE-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE RING NOVO NORDISK A/S (DK) 2001-07-17 US disclosed
EP-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP disclosed
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 1999-09-16 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-20030069267-A1 Modulators of protein tyrosine phosphatases (PTPases) PTPRCAP, PTPRS, PTPRA RAB7A 3644/4885PTPN1 7/4885KMT2A 3329/4885

“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.