SCHEMBL5034694

SCHEMBL5034694

COCC1CCCN1C(=O)c1csc(N(C(=O)c2ccc(Cl)cc2Cl)c2ccc(Cl)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.47
DPP8 Q6V1X1 1/20 0.47
DPP9 Q86TI2 1/20 0.47
HSD11B1 P28845 1/20 0.38
CNR2 P34972 1/20 0.38
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
CYP3A4 P08684 1/20 0.37
BCL6 P41182 1/20 0.37
SMO Q99835 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PDE7B Q9NP56 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
FPR1 P21462 1/20 0.34
FPR2 P25090 1/20 0.34
ADORA2A P29274 4/20 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
SCHEMBL5034695 1.00 DPP4 (0.47) DPP4DPP8DPP9HSD11B1CNR2
SCHEMBL5032615 0.92 DPP4 (0.43) DPP4DPP8DPP9HSD11B1CNR2
SCHEMBL5032609 0.92 DPP4 (0.43) DPP4DPP8DPP9HSD11B1CNR2
SCHEMBL5032519 0.92 DPP4 (0.42) DPP4DPP8DPP9CNR2RAB9A
SCHEMBL5032521 0.92 DPP4 (0.42) DPP4DPP8DPP9CNR2RAB9A
SCHEMBL5034813 0.90 HSD11B1 (0.39) DPP4DPP8DPP9HSD11B1RAB9A
SCHEMBL14190179 0.90 HSD11B1 (0.39) DPP4DPP8DPP9HSD11B1RAB9A
SCHEMBL5034736 0.87 HSD11B1 (0.45) HSD11B1RAB9ANPC1CYP3A4LMNA
SCHEMBL5032560 0.84 HSD11B1 (0.49) HSD11B1RAB9ANPC1CYP3A4LMNA
SCHEMBL5034701 0.81 HSD11B1 (0.41) HSD11B1RAB9ANPC1LMNAHPGD

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-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
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US 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
US-20050153962-A1 Thiazole derivatives HOFFMANN-LA ROCHE INC. 2005-07-14 US 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 DPP4 973/4885DPP8 1931/4885DPP9 1428/4885

“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.