SCHEMBL4861154

SCHEMBL4861154

COC(=O)N1CCC(O)(c2ccccc2CSC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 11/20 0.46
CYP2C19 P33261 6/20 0.46
MAPK1 P28482 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP2D6 P10635 8/20 0.46
HSD17B10 Q99714 8/20 0.45
USP2 O75604 4/20 0.45
ALDH1A1 P00352 5/20 0.42
TSHR P16473 3/20 0.42
CYP1A2 P05177 3/20 0.42
PDK2 Q15119 1/20 0.42
CYP2C9 P11712 4/20 0.41
HIF1A Q16665 3/20 0.40
HPGD P15428 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
CHRM4 P08173 1/20 0.39

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
SCHEMBL4871324 0.90 CYP3A4 (0.44) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL4863815 0.90 L3MBTL1 (0.53) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL4866342 0.90 PDK2 (0.44) MAPK1ALDH1A1TSHRPDK2ALOX15
SCHEMBL4867474 0.87 USP2 (0.43) CYP3A4CYP2C19MAPK1MEN1KMT2A
SCHEMBL4863081 0.86 MEN1 (0.46) CYP2C19MEN1KMT2AL3MBTL1CHRM4
SCHEMBL4863798 0.81 OPRL1 (0.44)
SCHEMBL4866314 0.81 L3MBTL1 (0.51) MEN1KMT2AALDH1A1TSHRCYP1A2
SCHEMBL4871392 0.80 OPRL1 (0.41)
SCHEMBL4867503 0.80 PDK2 (0.42) TSHRPDK2L3MBTL1ALOX15CHRM4
SCHEMBL4867904 0.79 OPRL1 (0.46)

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.