SCHEMBL6314482

SCHEMBL6314482

O=C1c2cc(Cl)c(Cl)cc2C(=O)N1CC1CC2(CCO1)OCCO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.41
HSD17B10 Q99714 2/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
KDM4E B2RXH2 3/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
OPRK1 P41145 1/20 0.35
TSHR P16473 2/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.32

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
SCHEMBL6317427 0.77 CYP1A2 (0.37) ALDH1A1HSD17B10CASP1CASP7KDM4E
SCHEMBL961957 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10CASP1CASP7KDM4E
SCHEMBL6315197 0.73 ALDH1A1 (0.44) ALDH1A1HSD17B10CASP1CASP7KDM4E
SCHEMBL18211735 0.67 CYP1A2 (0.59) ALDH1A1HSD17B10CASP1CASP7KDM4E
SCHEMBL31023116 0.64 CYP1A2 (0.49) ALDH1A1KDM4EHPGDCYP1A2CYP2C9
SCHEMBL959179 0.62 ALDH1A1 (0.50) ALDH1A1HSD17B10CASP1CASP7KDM4E
SCHEMBL24993960 0.62 PDK1 (0.31)
SCHEMBL24454504 0.62 PIM1 (0.46) ALDH1A1HSD17B10KDM4EHPGDSMN1; SMN2
SCHEMBL960179 0.62 ALDH1A1 (0.46) ALDH1A1HSD17B10CASP1CASP7KDM4E
SCHEMBL5837627 0.61 CYP1A2 (0.43) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP2C9

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 8 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-1080095-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) NOVO NORDISK A/S (DK) 2001-03-07 EP 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
WO-1999046267-A1 MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPASES) 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 3737/4885HSD17B10 1518/4885CASP1 3175/4885

“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.