SCHEMBL2205686

SCHEMBL2205686

COC(=O)CSCc1cc(F)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.40
▸ PRNP P04156 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ STAT3 P40763 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 2/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GAA P10253 1/20 0.36

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
SCHEMBL2208148 0.83 KMT2A (0.47) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL2211490 0.83 ALDH1A1 (0.43) HPGDKDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL19925456 0.81 SMN1; SMN2 (0.42) HPGDKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL31441325 0.80 PKM (0.40) SMN1; SMN2ALDH1A1MAPTHTTPKM
SCHEMBL12433169 0.78 HPGD (0.58) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL30714096 0.78 HPGD (0.58) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL18323995 0.75 LMNA (0.42) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL25663663 0.73 DPP4 (0.40) HPGDKDM4ESMN1; SMN2ALDH1A1MAPT
SCHEMBL30883124 0.72 P2RX7 (0.45) HPGDKDM4ESMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL909006 0.72 P2RX7 (0.45) HPGDKDM4ESMN1; SMN2ALDH1A1L3MBTL1

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-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
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

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 HPGD 3176/4885PRNP 1753/4885KDM4E 1421/4885
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 HPGD 3356/4885PRNP 2216/4885KDM4E 858/4885

“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.

Send feedback