SCHEMBL12433110

SCHEMBL12433110

OCc1ccccc1C1=COc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 2/20 0.36
CD274 Q9NZQ7 2/20 0.36
MTNR1A P48039 1/20 0.35
APOBEC3G Q9HC16 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HIF1A Q16665 2/20 0.32
EPAS1 Q99814 2/20 0.32
BRD4 O60885 1/20 0.31
BRD9 Q9H8M2 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31
BAZ2A Q9UIF9 1/20 0.31
STK17B O94768 1/20 0.31
PDK2 Q15119 2/20 0.31

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
SCHEMBL12433108 0.76 ALOX5AP (0.34) MTNR1A
SCHEMBL12433129 0.75 ATM (0.35) MTNR1A
SCHEMBL12433109 0.75 CYP1A2 (0.46) MTNR1A
SCHEMBL12433107 0.74 MTNR1A (0.30) MTNR1A
SCHEMBL2206008 0.72 MTNR1A (0.32) MTNR1A
SCHEMBL12511109 0.72 MTNR1A (0.37) MTNR1A
SCHEMBL12511209 0.71
SCHEMBL7204577 0.70 MTNR1A (0.51) MTNR1A
SCHEMBL1221964 0.70 PDCD1 (0.54) PDCD1CD274APOBEC3GBRD4BRD9
SCHEMBL12433138 0.69 KMT2A (0.40) MTNR1AHDAC6STK17B

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 7 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
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 PDCD1 4388/4885CD274 4792/4885MTNR1A 33/4885

“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.