SCHEMBL973607

SCHEMBL973607

CC(C)(C)OC(=O)N1CC(Nc2nccs2)C1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
NPC1 O15118 1/20 0.45
GPR119 Q8TDV5 2/20 0.43
EHMT2 Q96KQ7 1/20 0.41
METAP1 P53582 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
CNR1 P21554 2/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
USP30 Q70CQ3 2/20 0.40
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
DTYMK P23919 1/20 0.39

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
SCHEMBL13326821 0.90 CNR1 (0.49) ADORA2AADORA2BNPC1GPR119ADORA3
SCHEMBL972900 0.90 CNR1 (0.49) ADORA2AADORA2BNPC1GPR119ADORA3
SCHEMBL3449537 0.88 ALDH1A1 (0.54) NPC1GPR119USP30ALDH1A1CCNA2
SCHEMBL16834508 0.79 ALDH1A1 (0.41) NPC1GPR119EHMT2IRAK4USP30
SCHEMBL28898382 0.78 NPC1 (0.62) NPC1GPR119
SCHEMBL26134900 0.77 GPR119 (0.45) ADORA2AADORA2BGPR119POLBDTYMK
SCHEMBL16834539 0.77 IRAK4 (0.50) NPC1EHMT2IRAK4USP30POLB
SCHEMBL18497654 0.75 NOS2 (0.54) ADORA2AADORA2BGPR119USP30POLB
SCHEMBL30585858 0.75 NOS2 (0.54) ADORA2AADORA2BGPR119USP30POLB
SCHEMBL16834541 0.75 IRAK4 (0.45) ADORA2AADORA2BNPC1EHMT2IRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 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-20090176756-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS TPMT, SLC5A2, DPP4 ADORA2A 1528/4885ADORA2B 1389/4885NPC1 871/4885

“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.