SCHEMBL5032536

SCHEMBL5032536

CC1CCCN1C(=O)c1csc(N(C(=O)c2ccc(F)cc2Cl)c2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.39
SCD5 Q86SK9 1/20 0.38
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.37
PDK2 Q15119 2/20 0.37
KCNK3 O14649 3/20 0.36
TRPC3 Q13507 1/20 0.36
TRPC6 Q9Y210 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RORC P51449 2/20 0.33
SCN9A Q15858 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
RORB Q92753 1/20 0.33
HSD17B13 Q7Z5P4 1/20 0.33

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
SCHEMBL5035047 0.93 HSD11B1 (0.40) EPHX2SCD5HPGDPOLBKCNK3
SCHEMBL5032603 0.90 LIPE (0.41) EPHX2SCD5HPGDPDK2KCNK3
SCHEMBL5032557 0.84 PDK2 (0.39) PDK2ALDH1A1SCN9AKMT2AHSD11B1
SCHEMBL5032568 0.84 PDK2 (0.39) PDK2ALDH1A1SCN9AKMT2AHSD11B1
SCHEMBL5034736 0.83 HSD11B1 (0.45) SCD5HPGDPOLBKCNK3TRPC3
SCHEMBL5038957 0.82 LDHA (0.39) HPGDRAB9AKMT2A
SCHEMBL5032560 0.81 HSD11B1 (0.49) HPGDPOLBTRPC3TRPC6NPC1
SCHEMBL5035020 0.80 NPC1 (0.39) EPHX2HPGDTRPC3TRPC6NPC1
SCHEMBL5032604 0.78 TRPC3 (0.42) HPGDPOLBTRPC3TRPC6NPC1
SCHEMBL5035140 0.78 HSD11B1 (0.41) HPGDPOLBTRPC3TRPC6NPC1

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
US-7371751-B2 Thiazole derivatives HOFFMANN-LA ROCHE INC. (US) 2008-05-13 US disclosed
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 EPHX2 1229/4885SCD5 1824/4885HPGD 1922/4885

“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.