SCHEMBL971438

SCHEMBL971438

CCOC(=O)c1csc(N(C)CCNC(=O)C#Cc2cccc(Cl)c2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.47
GRM5 P41594 4/20 0.40
ANO1 Q5XXA6 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
EGFR P00533 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
VCP P55072 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
PYGL P06737 1/20 0.36
CYP3A4 P08684 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL971825 0.87 PYGL (0.41) GRM5MAPK1TLR7NPC1RAB9A
SCHEMBL973508 0.86 GRM5 (0.42) GRM5LMNATLR7NPC1RAB9A
SCHEMBL973076 0.84 PYGL (0.40) GRM5MAPK1TLR7VCPALDH1A1
SCHEMBL973945 0.83 GRM5 (0.40) L3MBTL1GRM5LMNAMAPK1NPC1
SCHEMBL2348851 0.78 PYGL (0.41) GRM5MAPK1TLR7VCPALDH1A1
SCHEMBL973186 0.78 PYGL (0.41) GRM5LMNAMAPK1NPC1RAB9A
SCHEMBL971082 0.77 GRM5 (0.41) GRM5MAPK1RAB9AVCPALDH1A1
Hydrochloric Acid SCHEMBL972280 0.77 PYGL (0.41) GRM5LMNAMAPK1NPC1RAB9A
SCHEMBL972331 0.77 GRM5 (0.42) GRM5MAPK1NPC1RAB9AMAPT
SCHEMBL2851862 0.77 PYGL (0.39) L3MBTL1GRM5NPC1RAB9AMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US disclosed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
US-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUNENTHAL GMBH (DE) 2009-07-09 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 (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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 L3MBTL1 4077/4885GRM5 1623/4885ANO1 2687/4885

“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.