SCHEMBL4866342

SCHEMBL4866342

CC(C)(C)OC(=O)N1CCC(O)(c2ccccc2CSC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
HDAC1 Q13547 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
TSHR P16473 2/20 0.41
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.41
TACR1 P25103 1/20 0.40
OPRD1 P41143 1/20 0.40
OPRK1 P41145 1/20 0.40
MAPT P10636 3/20 0.40
KDM1A O60341 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP11B2 P19099 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL4867503 0.90 PDK2 (0.42) PDK2GPR119HDAC1HDAC8HDAC6
SCHEMBL4861154 0.90 CYP3A4 (0.46) PDK2TSHRALOX15CHRM4ALDH1A1
SCHEMBL4863815 0.89 L3MBTL1 (0.53) PDK2TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL4867474 0.86 USP2 (0.43) PDK2TSHROPRD1OPRK1SMN1; SMN2
SCHEMBL4863081 0.85 MEN1 (0.46) HDAC1HDAC8HDAC6OPRD1OPRK1
SCHEMBL12701476 0.84 PDK2 (0.43) PDK2GPR119HDAC1HDAC8HDAC6
SCHEMBL4863798 0.80 OPRL1 (0.44) OPRD1OPRK1
SCHEMBL4871324 0.80 CYP3A4 (0.44) PDK2TSHRALOX15OPRD1OPRK1
SCHEMBL4866314 0.80 L3MBTL1 (0.51) PDK2TSHRMAPTSMN1; SMN2ALDH1A1
SCHEMBL3249913 0.79 OPRD1 (0.49) PDK2GPR119HDAC1HDAC8HDAC6

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 PDK2 1375/4885GPR119 4460/4885HDAC1 3477/4885

“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.