SCHEMBL4871324

SCHEMBL4871324

CCC(C)(C)SCc1ccccc1C1(O)CCN(C(=O)OC)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.44
CYP2C19 P33261 5/20 0.44
MAPK1 P28482 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP2D6 P10635 7/20 0.43
HSD17B10 Q99714 7/20 0.43
USP2 O75604 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
CYP1A2 P05177 2/20 0.40
PDK2 Q15119 1/20 0.40
CYP2C9 P11712 3/20 0.39
HIF1A Q16665 3/20 0.38
HPGD P15428 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL4866314 0.91 L3MBTL1 (0.51) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL4867503 0.90 PDK2 (0.42) L3MBTL1TSHRPDK2OPRD1OPRK1
SCHEMBL4861154 0.90 CYP3A4 (0.46) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL4869744 0.88 USP2 (0.40) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL4865893 0.87 MEN1 (0.43) CYP2C19MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL4867883 0.83 OPRM1 (0.42) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4863815 0.82 L3MBTL1 (0.53) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL4866366 0.82 OPRL1 (0.40) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4871468 0.82 OPRL1 (0.44) OPRM1OPRD1OPRK1OPRL1
SCHEMBL4868584 0.81 OPRL1 (0.39) OPRM1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SANKYO COMPANY, LIMITED (JP) 2005-07-28 US claimed
EP-1533314-A1 PROCESS FOR PRODUCING CYCLIC THIOETHER AND SYNTHETIC INTERMEDIATE THEREOF Sankyo Company, Limited (JP) 2005-05-25 EP claimed
US-7396930-B2 making spiro(benzo(c)thiophene-1 (3H),4'-piperidine) derivatives; involves reacting a mercapto compound with a 2-halophenylalkyl halide, reacting with an alkyllithium, then N-ethoxycarbonyl-4-piperidone, dehydration and cyclization; industrial scale; novel intermediates to neurokinin receptor antagonist SANKYO COMPANY, LIMITED (JP) 2008-07-08 US disclosed
US-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SANKYO COMPANY, LIMITED (JP) 2005-07-28 US disclosed
EP-1533314-A1 PROCESS FOR PRODUCING CYCLIC THIOETHER AND SYNTHETIC INTERMEDIATE THEREOF Sankyo Company, Limited (JP) 2005-05-25 EP 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-20050165037-A1 Process for producing cyclic thioether and synthetic intermediate thereof SULT1E1, TST, TMT1A CYP3A4 36/4885CYP2C19 295/4885MAPK1 1770/4885

“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.