SCHEMBL6315643

SCHEMBL6315643

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.47
PTPN2 P17706 4/20 0.47
PTPRC P08575 3/20 0.47
PTPRB P23467 2/20 0.47
PTPRE P23469 2/20 0.47
PTPN6 P29350 1/20 0.45
PTPRA P18433 2/20 0.40
RAB7A P51149 2/20 0.39
UBE2N P61088 1/20 0.39
POLB P06746 1/20 0.38
KMT2A Q03164 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
SCHEMBL6321988 0.88 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL7130316 0.86 PTPN1 (0.45) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6316123 0.86 PTPN1 (0.45) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6315022 0.86 RAB7A (0.51) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6323854 0.83 PTPN1 (0.44) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6316673 0.83 PTPN1 (0.46) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6316036 0.82 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6318337 0.82 PTPN1 (0.47) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6323792 0.82 PTPN1 (0.43) PTPN1PTPN2PTPRCPTPRBPTPRE
SCHEMBL6315826 0.81 RAB7A (0.46) 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 5 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-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.