SCHEMBL6316896

SCHEMBL6316896

O=C(Nc1sc2c(c1C(=O)O)CC(C(=O)N1Cc3ccccc3C1=O)OC2)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB7A P51149 3/20 0.37
PTPN1 P18031 3/20 0.37
EPHX2 P34913 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
KMT2A Q03164 3/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PTPN2 P17706 2/20 0.32
PTPRB P23467 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
OPRD1 P41143 1/20 0.31

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
SCHEMBL6402815 0.91 CXCR2 (0.37) RAB7AEPHX2ALDH1A1MAPTSMN1; SMN2
SCHEMBL6316890 0.80 PTPN1 (0.42) RAB7APTPN1EPHX2ALDH1A1MAPT
SCHEMBL6314287 0.74 CXCR2 (0.41) RAB7APTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6402811 0.71 CXCR2 (0.39) RAB7APTPN1EPHX2ALDH1A1MAPT
SCHEMBL6226621 0.68 RAB7A (0.44) RAB7APTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7681582 0.68 EPHX2 (0.38) PTPN1EPHX2ALDH1A1KMT2AKDM4E
SCHEMBL5838339 0.65 NT5E (0.37) ALDH1A1MAPTSMN1; SMN2LMNANPSR1
SCHEMBL5841331 0.64 RAB7A (0.54) RAB7APTPN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL6315941 0.63 PTPN1 (0.47) RAB7APTPN1PTPN2PTPRB
SCHEMBL7860317 0.62 ADORA1 (0.42) RAB7AALDH1A1MAPTLMNADPP8

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 7/4885EPHX2 2331/4885

“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.