SCHEMBL8368744

SCHEMBL8368744

O=C(O)CCSC1c2ccccc2-c2ccccc21

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
XBP1 P17861 1/20 0.47
CYP2C19 P33261 1/20 0.44
MAP2K7 O14733 2/20 0.44
CDC25A P30304 2/20 0.44
CDC25B P30305 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
S100A4 P26447 1/20 0.43
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
PKM P14618 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
FGB P02675 1/20 0.41
POLB P06746 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TOP1 P11387 1/20 0.40

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
SCHEMBL9016831 0.81 MAPT (0.56) MAPTXBP1MAP2K7CDC25ACDC25B
SCHEMBL22303956 0.76 CYP2C19 (0.50) CYP2C19MAP2K7CDC25ACDC25BCYP1A2
SCHEMBL9629366 0.74 ALDH1A1 (0.40) MAPTTSHRALDH1A1LMNAKMT2A
SCHEMBL1107119 0.73 ACHE (0.47) MAPTXBP1ALDH1A1LMNAPKM
SCHEMBL14280080 0.73 MAPT (0.51) MAPTXBP1CYP1A2TSHRALDH1A1
SCHEMBL8368745 0.73 MAPT (0.41) MAPTXBP1ALDH1A1LMNAPKM
SCHEMBL3136529 0.72 EGFR (0.54) MAPTCYP1A2TSHRKMT2AAPEX1
SCHEMBL3471771 0.71 KIF11 (0.48) MAPTXBP1CYP2C19CYP1A2TSHR
Hydrochloric Acid SCHEMBL8993456 0.70 EGFR (0.53) MAPTCYP1A2TSHRKMT2AAPEX1
SCHEMBL8993220 0.70 EGFR (0.58) MAPTCYP1A2TSHRALDH1A1KMT2A

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-1292573-B1 SUBSTITUTED THIOACETAMIDES CEPHALON INC (US) 2010-12-29 EP disclosed
EP-2186803-A2 Substituted thioacetamides CEPHALON, INC. (US) 2010-05-19 EP disclosed
US-20080027228-A1 Substituted thioacetamides CEPHALON, INC. (US) 2008-01-31 US disclosed
US-20080027228-A1 Substituted thioacetamides CEPHALON, INC. (US) 2008-01-31 US disclosed
US-7268132-B2 Thio substituted with a hetero multiring group; sleepiness, promotion of wakefulness, Parkinson's disease, cerebral ischemia, stroke, sleep apneas, eating disorders, stimulation of appetite and weight gain, attention deficit hyperactivity disorder CEPHALON, INC. (US) 2007-09-11 US disclosed
US-7268132-B2 Thio substituted with a hetero multiring group; sleepiness, promotion of wakefulness, Parkinson's disease, cerebral ischemia, stroke, sleep apneas, eating disorders, stimulation of appetite and weight gain, attention deficit hyperactivity disorder CEPHALON, INC. (US) 2007-09-11 US disclosed
US-RE39575-E1 Substituted thioacetamides CEPHALON, INC. (US) 2007-04-17 US disclosed
US-RE39575-E1 Substituted thioacetamides CEPHALON, INC. (US) 2007-04-17 US disclosed
WO-2003037853-A1 SUBSTITUTED THIOACETAMIDES CEPHALON, INC. (US) 2003-05-08 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 (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-20080027228-A1 Substituted thioacetamides TST, TTR, TBCA MAPT 1440/4885XBP1 2717/4885CYP2C19 646/4885

“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.