SCHEMBL6314795

SCHEMBL6314795

CC(C)(C)OC(=O)C(=O)Nc1sc2c(c1C(=O)O)CC(CN)OC2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB7A P51149 2/20 0.43
PTPN1 P18031 8/20 0.41
PTPN2 P17706 3/20 0.41
PTPRC P08575 2/20 0.41
PTPRB P23467 2/20 0.41
PTPRE P23469 2/20 0.41
POLB P06746 1/20 0.39
PTPN6 P29350 1/20 0.39
KMT2A Q03164 3/20 0.38
ALDH1A1 P00352 4/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 2/20 0.36
NOD2 Q9HC29 1/20 0.36
UBE2N P61088 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CXCR2 P25025 1/20 0.36
LMNA P02545 2/20 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
SCHEMBL5837569 0.82 CXCR2 (0.42) RAB7AKMT2AALDH1A1MAPTUBE2N
SCHEMBL6314950 0.77 CXCR2 (0.46) RAB7APTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6315895 0.76 RAB7A (0.47) RAB7APOLBKMT2AALDH1A1MAPT
SCHEMBL5837586 0.74 ADORA1 (0.41) POLBKMT2AALDH1A1MAPTMEN1
SCHEMBL5837643 0.74 CXCR2 (0.42) RAB7AKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL7482762 0.73 ALDH1A1 (0.41) RAB7AKMT2AALDH1A1MAPTMEN1
SCHEMBL5838538 0.73 CXCR2 (0.37) RAB7APTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5837222 0.72 PTPN1 (0.47) RAB7APTPN1PTPN2PTPRCPTPRB
SCHEMBL6322122 0.71 RAB7A (0.42) RAB7APTPN1PTPN2POLBKMT2A
SCHEMBL6322737 0.71 ALDH1A1 (0.42) POLBKMT2AALDH1A1MAPTSMN1; SMN2

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 RAB7A 3644/4885PTPN1 7/4885PTPN2 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.