SCHEMBL5017186

SCHEMBL5017186

CC(O)c1csc(-c2ccc(C(F)(F)F)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.44
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PIM1 P11309 3/20 0.41
TP53 P04637 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MCHR1 Q99705 1/20 0.41
HTT P42858 1/20 0.41
KIF11 P52732 1/20 0.41
LTA4H P09960 1/20 0.40
NR1H4 Q96RI1 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 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
SCHEMBL13996108 0.88 KDM4E (0.43) TLR7LMNAMAPTMAPK1POLB
SCHEMBL28003214 0.85 KDM4E (0.42) TLR7LMNAMAPTMAPK1POLB
SCHEMBL10770603 0.79 CTSK (0.50) LMNAMAPTPOLBKDM4EMEN1
SCHEMBL2307283 0.76 CYP2E1 (0.47) TLR7LMNAMAPTMAPK1POLB
SCHEMBL15893970 0.75 MAPK1 (0.56) TLR7LMNAMAPTMAPK1POLB
SCHEMBL14131549 0.75 LMNA (0.51) LMNAMAPTPOLBKDM4EPIM1
SCHEMBL21479710 0.74 KDM4E (0.68) LMNAKDM4EMEN1KMT2ANPSR1
SCHEMBL4472840 0.74 NPC1 (0.43) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL12862861 0.74 KDM4E (0.56) LMNAKDM4EMEN1KMT2ANPSR1
SCHEMBL12203544 0.73 NTMT1 (0.46) TLR7LMNAMAPTMAPK1POLB

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
US-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death DANA-FARBER CANCER INSTITUTE, INC. 2020-06-04 US disclosed
CN-1816550-B Indolyl derivatives substituted with a thiazole ring and their use as PPAR modulators HOFFMANN LA ROCHE 2010-04-28 CN disclosed
EP-1644368-B1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS HOFFMANN LA ROCHE (CH) 2008-08-27 EP disclosed
US-7235572-B2 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
CN-1816550-A Indolyl derivatives substituted with a thiazole ring and their use as ppar modulators HOFFMANN LA ROCHE (CH) 2006-08-09 CN disclosed
EP-1644368-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-04-12 EP disclosed
WO-2005005423-A1 INDOLYL DERIVATIVES SUBSTITUTED WITH A THIAZOLE RING AND THEIR USE AS PPAR MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-01-20 WO disclosed
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-01-06 US 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-20200172530-A1 Small Molecule Sensitization of BAX Activation for Induction of Cell Death BAX, BAD, TMBIM6 TLR7 2765/4885LMNA 853/4885MAPT 4692/4885
US-20050004187-A1 Thiazolyl-indole derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG TLR7 39/4885LMNA 3202/4885MAPT 3099/4885

“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.