SCHEMBL2865558

SCHEMBL2865558

O=C(Nc1ccc2[nH]ccc2c1)c1csc(N2CCN(C(=O)OCc3ccc(SC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
NPC1 O15118 5/20 0.37
RAB9A P51151 5/20 0.37
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
CHEK1 O14757 2/20 0.36
S1PR1 P21453 1/20 0.36
CHRNA7 P36544 1/20 0.35
MAOB P27338 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
FAAH O00519 1/20 0.34
PTGES O14684 1/20 0.34
ENPP2 Q13822 1/20 0.34
FLT3 P36888 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
SCHEMBL2810697 0.89 CLK2 (0.43) NPC1RAB9ATRPV1
SCHEMBL2809795 0.87 MAPT (0.35) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL13129755 0.86 MAPT (0.35) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL16927761 0.86 ENPP2 (0.46) ENPP2
SCHEMBL2810097 0.85 MAPT (0.37) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL2806094 0.84 KEAP1 (0.37) MAPTNPC1RAB9ALMNASMN1; SMN2
SCHEMBL16927740 0.78 NPC1 (0.48) MAPTNPC1RAB9ACHEK1S1PR1
SCHEMBL2810678 0.77 ENPP2 (0.40) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2809858 0.77 ENPP2 (0.43) MAPTLMNASMN1; SMN2TSHRNPSR1
SCHEMBL2814507 0.76 ENPP2 (0.54) ENPP2

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 MAPT 1450/4885NPC1 421/4885RAB9A 3098/4885

“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.