SCHEMBL6322997

SCHEMBL6322997

O=C(CN1C(=O)c2ccccc2C1=O)NCC1Cc2c(sc(NC(=O)C(=O)O)c2C(=O)O)CO1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
PTPN1 P18031 9/20 0.47
ALDH1A1 P00352 2/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PTPN2 P17706 5/20 0.41
PTPRC P08575 2/20 0.41
PTPRB P23467 2/20 0.41
PTPRE P23469 2/20 0.41
RAB7A P51149 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PTPRA P18433 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
SCHEMBL6317483 0.92 ALDH1A1 (0.53) TSHRPTPN1ALDH1A1PTPN2PTPRC
SCHEMBL6207147 0.87 PTPN1 (0.51) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6315441 0.84 ALDH1A1 (0.53) PTPN1ALDH1A1PTPN2PTPRCPTPRB
SCHEMBL6316036 0.84 PTPN1 (0.47) PTPN1ALDH1A1PTPN2PTPRCPTPRB
SCHEMBL6322191 0.83 ALDH1A1 (0.46) PTPN1ALDH1A1KMT2APTPN2PTPRC
SCHEMBL6316165 0.82 PTPN1 (0.48) PTPN1ALDH1A1PTPN2PTPRCPTPRB
SCHEMBL6318310 0.82 ALDH1A1 (0.44) PTPN1ALDH1A1KMT2AMEN1PTPN2
SCHEMBL6206528 0.82 RAB7A (0.55) PTPN1ALDH1A1KMT2AMEN1PTPN2
SCHEMBL6395534 0.81 SMN1; SMN2 (0.50) PTPN1ALDH1A1PTPN2PTPRCPTPRB
SCHEMBL6322638 0.81 PTPN1 (0.45) PTPN1ALDH1A1PTPN2PTPRCPTPRB

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 9 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
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 TSHR 393/4885PTPN1 7/4885ALDH1A1 3737/4885

“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.