SCHEMBL12433129

SCHEMBL12433129

NC(=O)CSCc1ccccc1C1=COc2ccccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.35
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 2/20 0.34
HPGD P15428 1/20 0.34
MTNR1A P48039 1/20 0.34
MAPT P10636 3/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32

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
SCHEMBL12433109 0.90 CYP1A2 (0.46) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL12511109 0.86 MTNR1A (0.37) ALDH1A1KMT2ACYP1A2HPGDMTNR1A
SCHEMBL12433108 0.81 ALOX5AP (0.34) MTNR1A
SCHEMBL2206008 0.76 MTNR1A (0.32) ATMMTNR1A
SCHEMBL12433110 0.75 PDCD1 (0.36) MTNR1A
SCHEMBL1196727 0.72 ALDH1A1 (0.51) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL1196162 0.68 CYP2C19 (0.58) ALDH1A1CYP1A2MAPTCYP3A4CYP2C9
SCHEMBL12433151 0.66 HPGD (0.55) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL2208174 0.66 MEN1 (0.44) ALDH1A1MEN1KMT2ACYP1A2HPGD
SCHEMBL18323994 0.66 LMNA (0.56) ALDH1A1MEN1KMT2ACYP1A2HPGD

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 4 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-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 ATM 788/4885ALDH1A1 615/4885MEN1 4433/4885

“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.