SCHEMBL8368745

SCHEMBL8368745

C[C@@H](NC(=O)CCSC1c2ccccc2-c2ccccc21)C(N)=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
XBP1 P17861 1/20 0.40
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 2/20 0.35
PSEN1 P49768 2/20 0.35
PSEN2 P49810 2/20 0.35
APH1B Q8WW43 2/20 0.35
NCSTN Q92542 2/20 0.35
APH1A Q96BI3 2/20 0.35
PSENEN Q9NZ42 2/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
KDM1A O60341 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL14280084 0.76 PSEN1 (0.34) MAPTKDM4EHPGDPSEN1PSEN2
SCHEMBL8368744 0.73 MAPT (0.47) MAPTXBP1LMNASMN1; SMN2KDM4E
SCHEMBL1903649 0.69 HDAC2 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL21587872 0.69 HDAC2 (0.54) MAPTSMN1; SMN2KDM4EALDH1A1KMT2A
SCHEMBL12966414 0.68 KMT2A (0.56) KMT2A
SCHEMBL31326505 0.68 KMT2A (0.56) KMT2A
SCHEMBL38660483 0.68 KMT2A (0.56) KMT2A
SCHEMBL21187795 0.68 KMT2A (0.56) KMT2A
SCHEMBL29398874 0.68 KMT2A (0.56) KMT2A
SCHEMBL5649671 0.67 FAAH (0.35) MAPTSMN1; SMN2ALDH1A1MEN1KMT2A

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 8 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-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 2717/4885LMNA 3782/4885

“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.