SCHEMBL6318310

SCHEMBL6318310

O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CC(CNC(=O)C(Cc1ccccc1)N1C(=O)c3ccccc3C1=O)OC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
HTT P42858 1/20 0.44
PTPN1 P18031 6/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
PTPN2 P17706 3/20 0.42
PKM P14618 1/20 0.42
RAB7A P51149 2/20 0.40
NPSR1 Q6W5P4 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.39
PTPRA P18433 1/20 0.38
HPGD P15428 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
POLB P06746 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6322191 0.91 ALDH1A1 (0.46) ALDH1A1HTTPTPN1KMT2APTPN2
SCHEMBL7117916 0.90 ALDH1A1 (0.47) ALDH1A1HTTPTPN1PTPN2RAB7A
SCHEMBL6315441 0.88 ALDH1A1 (0.53) ALDH1A1HTTPTPN1PTPN2RAB7A
SCHEMBL6314409 0.88 PTPN1 (0.43) ALDH1A1HTTPTPN1PTPN2RAB7A
SCHEMBL7860022 0.86 ALDH1A1 (0.43) ALDH1A1HTTMEN1KMT2APKM
SCHEMBL6322997 0.82 TSHR (0.47) ALDH1A1PTPN1MEN1KMT2APTPN2
SCHEMBL7119946 0.82 PTPN1 (0.42) ALDH1A1PTPN1MEN1KMT2APTPN2
SCHEMBL6317483 0.81 ALDH1A1 (0.53) ALDH1A1PTPN1PTPN2RAB7ALMNA
SCHEMBL6316036 0.80 PTPN1 (0.47) ALDH1A1PTPN1PTPN2RAB7ANPSR1
SCHEMBL6207147 0.80 PTPN1 (0.51) PTPN1PTPN2RAB7APTPRA

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 ALDH1A1 3737/4885HTT 511/4885PTPN1 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.