SCHEMBL3602173

SCHEMBL3602173

Cc1nc(C2CCCCC2)c(S(=O)(=O)CC2CC2)cc1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.36
PRSS1 P07477 3/20 0.36
PTGS2 P35354 4/20 0.36
CD38 P28907 1/20 0.35
SCN10A Q9Y5Y9 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA6 P23280 2/20 0.34
CA7 P43166 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA12 O43570 1/20 0.34
CA4 P22748 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34

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
SCHEMBL4329258 0.77 MAPT (0.42) PTGS2CD38SCN10AKDM4EMEN1
SCHEMBL3614452 0.76 PARP10 (0.35) KDM4EMEN1MAPTKMT2ACA1
SCHEMBL3619531 0.74 PARP10 (0.36) F2PRSS1PTGS2CD38KDM4E
SCHEMBL3612195 0.74 SCN10A (0.32) F2PRSS1PTGS2SCN10A
SCHEMBL3615446 0.72 PIK3C3 (0.36) F2PRSS1PIK3C3
SCHEMBL3622860 0.69 PARP10 (0.37) KDM4EMEN1MAPTKMT2APARP15
SCHEMBL3094972 0.66 KDM4E (0.40) PTGS2CD38KDM4EMEN1MAPT
SCHEMBL28976931 0.65 SCN10A (0.40) SCN10AKDM4E
SCHEMBL28976616 0.65 SCN10A (0.38) SCN10AKDM4E
SCHEMBL3608015 0.65 ALDH1A1 (0.34) KDM4EMAPTCA2

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 F2 4318/4885PRSS1 622/4885PTGS2 1291/4885
US-20100029726-A1 CYCLOHEXANESULFONYL DERIVATIVES AS GLYT1 INHIBITORS TO TREAT SCHIZOPHRENIA GLRA1, GNMT, MGAT1 F2 4318/4885PRSS1 622/4885PTGS2 1291/4885

“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.