SCHEMBL2206875

SCHEMBL2206875

NC(S)=NCc1cc(F)ccc1Br

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.33
DPP4 P27487 1/20 0.33
GRIN2B Q13224 2/20 0.31
PKM P14618 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
HSP90AA1 P07900 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
NCOA2 Q15596 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
Hydrochloric Acid SCHEMBL3396072 0.78 IDO1 (0.47) TAAR1GRIN2BKDM4EALDH1A1SMN1; SMN2
SCHEMBL22776002 0.71 NR3C1 (0.33) PKM
SCHEMBL15524379 0.70 ICMT (0.43) PKM
SCHEMBL4031071 0.70 IDO1 (0.41) DPP4PKMMEN1ALDH1A1POLB
SCHEMBL29556458 0.70 MPO (0.44) TAAR1DPP4PKMALDH1A1KMT2A
SCHEMBL558725 0.70 MPO (0.44) TAAR1DPP4PKMALDH1A1KMT2A
SCHEMBL30227514 0.70 PKM (0.38) DPP4PKMMEN1ALDH1A1POLB
SCHEMBL458270 0.70 PKM (0.38) DPP4PKMMEN1ALDH1A1POLB
SCHEMBL29374969 0.69 MIF (0.52) DPP4ALDH1A1
SCHEMBL29216019 0.69 HTR2C (0.36) DPP4PPARG

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 TAAR1 274/4885DPP4 2664/4885GRIN2B 255/4885
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 TAAR1 368/4885DPP4 1631/4885GRIN2B 88/4885

“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.