SCHEMBL3620874

SCHEMBL3620874

CCCS(=O)(=O)c1ccccc1C(=O)N(C)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
TSHR P16473 1/20 0.56
HSD11B1 P28845 2/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.45
ALDH1A1 P00352 3/20 0.44
LMNA P02545 1/20 0.44
ABCC1 P33527 2/20 0.43
ATM Q13315 1/20 0.42
NPC1 O15118 2/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.41
HSD11B2 P80365 1/20 0.41
ADRA2C P18825 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
SCHEMBL3619527 0.85 HPGD (0.56) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL9001760 0.79 TSHR (0.79) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL3455670 0.74 HPGD (0.70) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL21891511 0.74 TSHR (0.70) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL16098855 0.74 HPGD (0.70) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL27605825 0.74 HPGD (0.62) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL5258999 0.73 MAPT (0.60) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL3456758 0.73 HPGD (0.68) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL27588240 0.73 HPGD (1.00) HPGDTSHRHSD11B1MAPTSMN1; SMN2
SCHEMBL5262823 0.73 HPGD (0.68) HPGDTSHRHSD11B1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HPGD 1312/4885TSHR 1216/4885HSD11B1 717/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 HPGD 1312/4885TSHR 1216/4885HSD11B1 717/4885

“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.