SCHEMBL2211037

SCHEMBL2211037

NC(=O)C[S+]([O-])Cc1ccccc1-c1ccco1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
PTPN1 P18031 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PKM P14618 2/20 0.34
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 3/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 2/20 0.33
LIMK1 P53667 1/20 0.33
SLC9A1 P19634 1/20 0.33
PTPN2 P17706 1/20 0.33
PTPN6 P29350 1/20 0.33
TAAR1 Q96RJ0 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
SCHEMBL1196144 0.79 KMT2A (0.46) CYP2C19KMT2ARAB9A
SCHEMBL2208584 0.78 HDAC6 (0.46) PTPN1ALDH1A1MEN1KMT2ATDP1
SCHEMBL5494323 0.76 CYP2C19 (0.39) CYP2C19OPRM1OPRD1PTPN1ALDH1A1
SCHEMBL6433645 0.75 ALOX5 (0.46) CYP2C19ALDH1A1MEN1KMT2ATDP1
SCHEMBL2207696 0.75 TAAR1 (0.39) CYP2C19ALDH1A1MEN1KMT2AKDM4E
SCHEMBL1195760 0.74 CYP2C19 (0.58) CYP2C19KMT2A
SCHEMBL2208291 0.73 LTA4H (0.44) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL4193735 0.72 KDM4E (0.40) ALDH1A1MEN1KMT2AHSD17B10MAPT
SCHEMBL18323992 0.72 TAAR1 (0.39) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL12433152 0.72 PARP10 (0.41) ALDH1A1KMT2AKDM4ETAAR1

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 15 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
EP-1737815-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2007-01-03 EP 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
WO-2005100308-A1 THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES CEPHALON, INC. (US) 2005-10-27 WO 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 CYP2C19 466/4885OPRM1 772/4885OPRD1 155/4885
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 CYP2C19 945/4885OPRM1 1354/4885OPRD1 302/4885

“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.