SCHEMBL6314403

SCHEMBL6314403

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC(CNC(=O)c1c[nH]c3ccccc13)OC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.42
RAB7A P51149 2/20 0.42
PTPN2 P17706 6/20 0.40
PTPRC P08575 2/20 0.40
PTPRB P23467 2/20 0.40
PTPRE P23469 2/20 0.40
HTR4 Q13639 1/20 0.40
PTPN6 P29350 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 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
SCHEMBL6316056 0.93 GABRP (0.44) PTPN1ALDH1A1MAPT
SCHEMBL7676868 0.87 MAPT (0.42) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL7864273 0.85 HPGD (0.41) RAB7AHTR4ALDH1A1MAPTHPGD
SCHEMBL6206528 0.84 RAB7A (0.55) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6316713 0.83 RAB7A (0.45) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6206947 0.82 MAOB (0.42) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6318391 0.82 KDM4E (0.52) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6318283 0.81 POLB (0.49) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6317112 0.80 PTPN1 (0.44) PTPN1RAB7APTPN2PTPRCPTPRB
SCHEMBL6207392 0.79 MAPT (0.56) PTPN1MAPT

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-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 7/4885RAB7A 3644/4885PTPN2 9/4885

“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.