SCHEMBL6317344

SCHEMBL6317344

CN(C)c1ccc(CC(=O)NCC2Cc3c(sc(NC(=O)C(=O)O)c3C(=O)O)CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.41
PTPN2 P17706 5/20 0.41
PTPRC P08575 2/20 0.41
PTPRB P23467 2/20 0.41
PTPRE P23469 2/20 0.41
PTPN6 P29350 1/20 0.41
RAB7A P51149 2/20 0.39
HDAC1 Q13547 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6316036 0.89 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6315982 0.88 SMN1; SMN2 (0.49) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6317045 0.86 THRB (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL7859642 0.84 KDM4E (0.39) RAB7AHDAC1NPC1RAB9AALDH1A1
SCHEMBL6316667 0.84 MEN1 (0.50) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6321243 0.82 ALDH1A1 (0.53) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6322930 0.82 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6323714 0.82 PTPN1 (0.41) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6317789 0.81 HSD17B10 (0.50) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6316165 0.80 PTPN1 (0.48) PTPN1PTPN2PTPRCPTPRBPTPRE

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 6 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
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

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 PTPN1 7/4885PTPN2 9/4885PTPRC 6/4885

“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.