SCHEMBL3548684

SCHEMBL3548684

CO/C(=C\C(=O)C(F)(F)F)C(C)C

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MLYCD O95822 2/20 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
SCHEMBL3548687 1.00 MAPT (0.35) MAPTALDH1A1MLYCD
SCHEMBL5467251 0.79 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL5467247 0.79 ALDH1A1 (0.33) MAPTALDH1A1
SCHEMBL26346428 0.75
SCHEMBL17228491 0.73 ALDH1A1 (0.36) ALDH1A1
SCHEMBL19813957 0.73 MAPT (0.39) MAPTALDH1A1
SCHEMBL17019715 0.73 KEAP1 (0.32) ALDH1A1
SCHEMBL25142325 0.71 MAPT (0.38) MAPTALDH1A1
SCHEMBL2119377 0.71 MAPT (0.42) MAPTALDH1A1
SCHEMBL2119371 0.71 MAPT (0.42) MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1893566-B1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (GB) 2013-02-13 EP disclosed
US-7851638-B2 Cyclohexanesulfonyl derivatives as GLYT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME LIMITED (GB) 2010-12-14 US disclosed
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME (UK) LIMITED (GB) 2010-02-04 US disclosed
US-7626056-B2 2,4-Dichloro-N-(4-cyclopropylmethanesulfonyl-1-cyclopropylmethylcyclohexyl-methyl) benzamide; glutamatergic neurotransmission dysfunction and diseases; dementia; antidepressants; learning enhancement; cognition activators; attention deficit disorders; autism; eating disorders; anxiolytic agents MERCK SHARP & DOHME LIMITED (GB) 2009-12-01 US disclosed
EP-1893566-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LTD. (GB) 2008-03-05 EP disclosed
WO-2006131711-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA MERCK SHARP & DOHME LIMITED (GB) 2006-12-14 WO disclosed
US-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia MERCK SHARP & DOHME (UK) LIMITED (GB) 2006-12-07 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 (2 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-20060276655-A1 Cyclohexanesulfonyl derivatives as GlyT1 inhibitors to treat schizophrenia GLRA1, GNMT, MGAT1 MAPT 1434/4885ALDH1A1 1107/4885MLYCD 1783/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 MAPT 1434/4885ALDH1A1 1107/4885MLYCD 1783/4885

“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.