SCHEMBL5034813

SCHEMBL5034813

O=C(c1ccc(Cl)cc1Cl)N(c1ccc(Cl)cc1)c1nc(C(=O)N2CCCC2CO)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
SPHK1 Q9NYA1 2/20 0.37
CYP3A4 P08684 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
RAB9A P51151 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
BCL2 P10415 1/20 0.35
NTRK1 P04629 2/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
SCN9A Q15858 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL14190179 1.00 HSD11B1 (0.39) HSD11B1KDM4EGAAHTTSPHK1
SCHEMBL5034694 0.90 DPP4 (0.47) HSD11B1CYP3A4HRH3RAB9ADPP4
SCHEMBL5034695 0.90 DPP4 (0.47) HSD11B1CYP3A4HRH3RAB9ADPP4
SCHEMBL5034736 0.88 HSD11B1 (0.45) HSD11B1GAAHTTCYP3A4RAB9A
SCHEMBL5032560 0.85 HSD11B1 (0.49) HSD11B1KDM4EGAAHTTCYP3A4
SCHEMBL5032609 0.83 DPP4 (0.43) HSD11B1RAB9ADPP4DPP8DPP9
SCHEMBL5032615 0.83 DPP4 (0.43) HSD11B1RAB9ADPP4DPP8DPP9
SCHEMBL5032552 0.82 NPC1 (0.45) CYP3A4RAB9ADPP4DPP8NPC1
SCHEMBL5035137 0.82 CYP3A4 (0.43) CYP3A4RAB9ADPP4DPP8NPC1
SCHEMBL5032519 0.82 DPP4 (0.42) KDM4EHTTRAB9ADPP4DPP8

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US claimed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP claimed
JP-2007513193-A 2007-05-24 JP claimed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP claimed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US claimed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 WO claimed
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
EP-1694673-B1 THIAZOLE DERIVATES HOFFMANN LA ROCHE (CH) 2008-01-16 EP disclosed
EP-1694673-A1 NOVEL THIAZOLE DERIVATES F.HOFFMANN-LA ROCHE AG (CH) 2006-08-30 EP disclosed
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US disclosed
WO-2005058887-A1 NOVEL THIAZOLE DERIVATES F. HOFFMANN-LA ROCHE AG (CH) 2005-06-30 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-20050153962-A1 Thiazole derivatives CNR1, CNR2, GPR119 HSD11B1 798/4885KDM4E 3200/4885GAA 2359/4885

“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.