SCHEMBL6318443

SCHEMBL6318443

CNC(=O)c1ccc2c(c1)C(=O)N(CC1Cc3c(sc(NC(=O)C(=O)O)c3C(=O)O)CO1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.45
TSHR P16473 1/20 0.45
RAB7A P51149 2/20 0.45
GAA P10253 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 1/20 0.41

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
SCHEMBL6315172 0.92 ALDH1A1 (0.45) ALDH1A1TSHRRAB7AGAAMEN1
SCHEMBL5838029 0.91 ALDH1A1 (0.44) ALDH1A1TSHRRAB7AGAAMEN1
SCHEMBL5837692 0.88 PTPN1 (0.42) ALDH1A1TSHRRAB7AGAAMEN1
SCHEMBL6207147 0.87 PTPN1 (0.51) RAB7A
SCHEMBL5837370 0.87 PTPN1 (0.45) ALDH1A1TSHRRAB7AGAAMEN1
SCHEMBL5836606 0.87 POLB (0.43) ALDH1A1RAB7AGAAMEN1KMT2A
SCHEMBL5838812 0.85 PTPN1 (0.46) RAB7A
SCHEMBL6205883 0.85 PTPN1 (0.43) ALDH1A1RAB7A
SCHEMBL7862333 0.85 ALDH1A1 (0.47) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL5838601 0.85 PTPN1 (0.40) ALDH1A1RAB7AMEN1KMT2A

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 3737/4885TSHR 393/4885RAB7A 3644/4885

“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.