SCHEMBL6315979

SCHEMBL6315979

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC(CNC(=O)c1cccnc1)OC2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PTPN1 P18031 2/20 0.48
RORC P51449 4/20 0.47
ALDH1A1 P00352 5/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MGAM O43451 4/20 0.47
AMY1A P0DUB6 3/20 0.47
RAB7A P51149 2/20 0.46
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
FLT3 P36888 1/20 0.45
POLB P06746 1/20 0.44
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RCE1 Q9Y256 1/20 0.43

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
SCHEMBL6206528 0.91 RAB7A (0.55) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL6323657 0.86 MAPT (0.43) MEN1KMT2APTPN1RORCALDH1A1
SCHEMBL6315022 0.85 RAB7A (0.51) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL5836808 0.84 PTPN1 (0.45) MEN1KMT2APTPN1RAB7A
SCHEMBL6316945 0.84 PTPN1 (0.45) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL6315228 0.84 PTPN1 (0.43) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL6321243 0.83 ALDH1A1 (0.53) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL6316963 0.83 PTPN1 (0.47) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL6315632 0.83 RAB7A (0.47) MEN1KMT2APTPN1ALDH1A1MAPT
SCHEMBL6314943 0.83 KMT2A (0.56) MEN1KMT2APTPN1ALDH1A1MAPT

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 7 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-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 MEN1 3307/4885KMT2A 3329/4885PTPN1 7/4885

“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.