SCHEMBL6322737

SCHEMBL6322737

COc1ccc(S(=O)(=O)NCC2Cc3c(sc(NC(=O)C(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)CO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
LMNA P02545 3/20 0.42
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
NPC1 O15118 1/20 0.41
CXCR2 P25025 6/20 0.40
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.36
CXCR4 P61073 1/20 0.36
STS P08842 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
XBP1 P17861 1/20 0.35
KMT2A Q03164 1/20 0.35
TGFBR1 P36897 1/20 0.35

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
SCHEMBL6318332 0.87 ALDH1A1 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL6321274 0.84 ALDH1A1 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL5837569 0.79 CXCR2 (0.42) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL5838393 0.78 CXCR2 (0.41) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL6315895 0.78 RAB7A (0.47) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL5837398 0.77 CXCR2 (0.37) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL6314950 0.75 CXCR2 (0.46) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL7696900 0.75 ALDH1A1 (0.49) ALDH1A1LMNAHPGDSMN1; SMN2HTT
SCHEMBL5837383 0.73 CXCR2 (0.37) ALDH1A1HPGDSMN1; SMN2HSD17B10CXCR2
SCHEMBL5837643 0.72 CXCR2 (0.42) ALDH1A1LMNAHPGDSMN1; SMN2HTT

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-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
EP-1080068-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES Novo Nordisk A/S (DK) 2001-03-07 EP disclosed
WO-1999046237-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES NOVO NORDISK A/S (DK) 1999-09-16 WO 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 3737/4885LMNA 4783/4885HPGD 2593/4885

“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.