SCHEMBL2806094

SCHEMBL2806094

O=C(Nc1ccc2ncsc2c1)c1csc(N2CCN(C(=O)OCc3ccc(SC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 4/20 0.36
TSHR P16473 3/20 0.36
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
OTUD7B Q6GQQ9 1/20 0.36
IRAK4 Q9NWZ3 3/20 0.35
PDE4B Q07343 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL2810097 0.88 MAPT (0.37) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2809795 0.84 MAPT (0.35) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2865558 0.84 MAPT (0.37) NPC1RAB9ASMN1; SMN2MAPTTSHR
SCHEMBL13129755 0.84 MAPT (0.35) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL2810697 0.83 CLK2 (0.43) NPC1RAB9A
SCHEMBL16927761 0.82 ENPP2 (0.46)
SCHEMBL16927745 0.78 RAB9A (0.45) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL2810093 0.75 LMNA (0.34) SMN1; SMN2MAPTTSHRLMNANPSR1
SCHEMBL13883760 0.75 LMNA (0.34) SMN1; SMN2KMT2AMAPTTSHRLMNA
SCHEMBL2810678 0.74 ENPP2 (0.40) SMN1; SMN2KMT2AMAPTTSHRLMNA

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-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP claimed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US claimed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US claimed
EP-2209777-B1 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2015-07-29 EP disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-8557824-B2 Thiazole derivatives MERCK PATENT GMBH (DE) 2013-10-15 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
US-20100240676-A1 THIAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2010-09-23 US disclosed
WO-2009046842-A2 THIAZOL DERIVATIVES FOR TREATING CANCER MERCK PATENT GMBH (DE) 2009-04-16 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-20100240676-A1 THIAZOLE DERIVATIVES CCNE2, PKD1, PKD2 KEAP1 630/4885NFE2L2 177/4885NPC1 421/4885

“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.