SCHEMBL12433181

SCHEMBL12433181

COC(=O)c1ccccc1-c1oc2ccccc2c1Cl

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.51
SLC6A4 P31645 3/20 0.51
ATM Q13315 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TOP2A P11388 2/20 0.43
SLC6A2 P23975 1/20 0.43
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL9318622 0.87 KDM4E (0.47) SLC6A3SLC6A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL9320103 0.83 SLC6A3 (0.43) SLC6A3SLC6A4ATMKDM4EALDH1A1
SCHEMBL2206554 0.82 ADORA3 (0.50) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL19195619 0.77 KDM4E (0.49) SLC6A3SLC6A4ATMKDM4EALDH1A1
SCHEMBL4554338 0.76 ALOX5 (0.50) SLC6A3SLC6A4KDM4EALDH1A1SMN1; SMN2
SCHEMBL5032882 0.74 KDM4E (0.52) SLC6A3SLC6A4ATMKDM4EALDH1A1
SCHEMBL2205703 0.74 KDM4E (0.43) ATML3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL9318354 0.74 KDM4E (0.45) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL5072166 0.73 SLC6A3 (0.59) SLC6A3SLC6A4ATMKDM4EALDH1A1
SCHEMBL18539206 0.73 SLC6A3 (0.59) SLC6A3SLC6A4ATMKDM4EALDH1A1

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 6 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
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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 SLC6A3 177/4885SLC6A4 218/4885ATM 788/4885

“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.