SCHEMBL2810097

SCHEMBL2810097

O=C(Nc1ccc2nsnc2c1)c1csc(N2CCN(C(=O)OCc3ccc(SC(F)(F)F)cc3)CC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
NPSR1 Q6W5P4 2/20 0.37
MAPK1 P28482 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
IRAK4 Q9NWZ3 4/20 0.37
KDM4E B2RXH2 7/20 0.36
ALDH1A1 P00352 5/20 0.36
RAB9A P51151 3/20 0.36
THRB P10828 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
CASP1 P29466 2/20 0.35
ATM Q13315 1/20 0.35
HSD17B10 Q99714 1/20 0.35
OPRK1 P41145 1/20 0.35
CTNNB1 P35222 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
SCHEMBL2806094 0.88 KEAP1 (0.37) MAPTLMNASMN1; SMN2NPSR1MAPK1
SCHEMBL2809795 0.87 MAPT (0.35) MAPTLMNASMN1; SMN2NPSR1MAPK1
SCHEMBL13129755 0.86 MAPT (0.35) MAPTLMNASMN1; SMN2NPSR1MAPK1
SCHEMBL2865558 0.85 MAPT (0.37) MAPTLMNASMN1; SMN2NPSR1MAPK1
SCHEMBL2810697 0.85 CLK2 (0.43) RAB9ANPC1
SCHEMBL16927761 0.83 ENPP2 (0.46) ENPP2
SCHEMBL16927749 0.80 RAB9A (0.35) MAPTSMN1; SMN2NPSR1MAPK1TSHR
SCHEMBL16927717 0.78 KDM4E (0.48) MAPTLMNASMN1; SMN2NPSR1MAPK1
SCHEMBL2810678 0.77 ENPP2 (0.40) MAPTLMNASMN1; SMN2NPSR1MAPK1
SCHEMBL2809858 0.77 ENPP2 (0.43) MAPTLMNASMN1; SMN2NPSR1MAPK1

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-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 1450/4885LMNA 1974/4885SMN1; SMN2 3257/4885

“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.