SCHEMBL2211166

SCHEMBL2211166

O=C(C[S+]([O-])Cc1ccccc1-c1cc2ccccc2s1)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.39
DCK P27707 1/20 0.36
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
HTR2C P28335 2/20 0.34
SLC6A2 P23975 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.33
PRKDC P78527 2/20 0.33
DPP4 P27487 1/20 0.33
DPP9 Q86TI2 1/20 0.33
PREP P48147 1/20 0.33
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
CYP3A4 P08684 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PRKCQ Q04759 1/20 0.33
KCNH2 Q12809 1/20 0.33
PLAUR Q03405 1/20 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
SCHEMBL2209548 0.88 HRH4 (0.38) DCKHRH4L3MBTL1PRKDCDPP4
SCHEMBL2209372 0.88 DPP4 (0.36) DCKHRH4L3MBTL1PRKDCDPP4
SCHEMBL2211070 0.86 FAAH (0.37) CHEK1DCKHRH4DPP4DPP9
SCHEMBL2206684 0.80 IKBKB (0.39) KDRGSK3AGSK3B
SCHEMBL2211639 0.76 REN (0.38) CHEK1PLAUR
SCHEMBL2965869 0.72 DPP4 (0.36) HRH4HRH3HTR2CDPP4
SCHEMBL2208502 0.70 APP (0.40) PIK3CABRD4CREBBP
SCHEMBL2210599 0.69 CYP2C19 (0.35) KDRKCNH2
SCHEMBL4049432 0.67 BCL2L1 (0.46)
SCHEMBL477484 0.66 CYP2A6 (0.53) PRKDCPIK3CDPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP disclosed
EP-1737815-B1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON INC (US) 2016-12-21 EP disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-7981907-B2 Thio-substituted biarylmethanesulfinyl derivatives CEPHALON, INC. (US) 2011-07-19 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives CEPHALON, INC. (US) 2009-03-05 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US disclosed
US-7449481-B2 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2008-11-11 US disclosed
US-20050245747-A1 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue CEPHALON, INC. (US) 2005-11-03 US disclosed
EP-1586559-A1 Biaryl-methanethio-, -sulphinyl- and sulphonyl derivatives CEPHALON, INC. (US) 2005-10-19 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 (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-20090062284-A1 Thio-Substituted Biarylmethanesulfinyl Derivatives AANAT, SNCA, NAT1 CHEK1 1634/4885DCK 4512/4885HRH4 156/4885
US-20050245747-A1 e.g. 2-[2-(5-chloro-benzo[b]thiophen-2-yl)-phenylmethanesulfinyl]-acetamide; autoimmune disorders, antidepressant; narcolepsy, Parkinson's, Alzheimer's disease; attention deficit hyperactivity disorder; sleep disorder, fatigue TPH2, TPH1, AANAT CHEK1 2870/4885DCK 4476/4885HRH4 49/4885

“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.