SCHEMBL12433153

SCHEMBL12433153

O=C(O)CSCc1ccccc1Br

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
HPGD P15428 3/20 0.58
KDM4E B2RXH2 3/20 0.55
ALDH1A1 P00352 5/20 0.51
TDP1 Q9NUW8 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.45
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FFAR1 O14842 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL31643340 1.00 CYP1A2 (0.60) CYP1A2HPGDKDM4EALDH1A1TDP1
SCHEMBL12433151 0.85 HPGD (0.55) CYP1A2HPGDKDM4EALDH1A1TDP1
SCHEMBL31643367 0.84 HPGD (0.54) CYP1A2HPGDKDM4EALDH1A1TDP1
SCHEMBL23980348 0.82 MMP12 (0.54) CYP1A2HPGDKDM4EALDH1A1L3MBTL1
SCHEMBL23232393 0.82 CYP2C19 (0.61) CYP1A2HPGDKDM4EALDH1A1TDP1
SCHEMBL30714096 0.81 HPGD (0.58) HPGDKDM4EALDH1A1TDP1LMNA
SCHEMBL12433169 0.81 HPGD (0.58) HPGDKDM4EALDH1A1TDP1LMNA
SCHEMBL5855074 0.80 TAAR1 (0.50) CYP1A2HPGDKDM4EALDH1A1TDP1
SCHEMBL8183584 0.79 KDM4E (0.54) CYP1A2HPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL10418735 0.78 CYP1A2 (0.60) CYP1A2HPGDALDH1A1TDP1LMNA

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 CYP1A2 76/4885HPGD 3176/4885KDM4E 1421/4885

“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.