SCHEMBL2206997

SCHEMBL2206997

N=C(N)SCc1ccccc1I

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 10/20 0.62
HTT P42858 5/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
TAAR1 Q96RJ0 3/20 0.62
LMNA P02545 3/20 0.62
HPGD P15428 2/20 0.59
NOS1 P29475 2/20 0.57
NOS3 P29474 1/20 0.57
NOS2 P35228 1/20 0.57
SLC11A2 P49281 2/20 0.53
MAPT P10636 2/20 0.48
TP53 P04637 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL2812696 0.86 IDO1 (0.74) IDO1HTTSMN1; SMN2TAAR1LMNA
Bromide SCHEMBL2810146 0.84 IDO1 (0.71) IDO1HTTSMN1; SMN2TAAR1LMNA
Hydrochloric Acid SCHEMBL22263112 0.84 IDO1 (0.75) IDO1HTTSMN1; SMN2TAAR1LMNA
SCHEMBL3679465 0.80 IDO1 (0.67) IDO1HTTSMN1; SMN2TAAR1LMNA
SCHEMBL3693822 0.79 IDO1 (0.61) IDO1HTTSMN1; SMN2TAAR1LMNA
Bromide SCHEMBL4437731 0.78 IDO1 (0.59) IDO1HTTSMN1; SMN2TAAR1LMNA
SCHEMBL3770841 0.78 IDO1 (0.51) IDO1HTTSMN1; SMN2TAAR1LMNA
SCHEMBL3690551 0.78 HTT (0.65) IDO1HTTSMN1; SMN2TAAR1LMNA
SCHEMBL13007579 0.77 IDO1 (1.00) IDO1HTTSMN1; SMN2TAAR1LMNA
SCHEMBL12433171 0.77 IDO1 (0.62) IDO1HTTSMN1; SMN2TAAR1LMNA

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 9 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
CN-1997628-A Sulfur-substituted diarylmethanesulfinyl derivatives CEPHALON INC (US) 2007-07-11 CN 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
EP-1586559-A1 Biaryl-methanethio-, -sulphinyl- and sulphonyl derivatives CEPHALON, INC. (US) 2005-10-19 EP 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 IDO1 334/4885HTT 373/4885SMN1; SMN2 685/4885
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 IDO1 130/4885HTT 235/4885SMN1; SMN2 651/4885

“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.