SCHEMBL206087

SCHEMBL206087

CCCCCCCCOc1ccc(Nc2nc(-c3cncc(C(=O)OCC)c3)cs2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
RAB9A P51151 2/20 0.54
ALOX5 P09917 1/20 0.49
CA12 O43570 5/20 0.45
CA1 P00915 5/20 0.45
CA2 P00918 5/20 0.45
CA9 Q16790 5/20 0.45
MAPT P10636 4/20 0.44
GAA P10253 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CSNK2A1 P68400 3/20 0.44
PTPN12 Q05209 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
PTGS2 P35354 1/20 0.43
TRPV4 Q9HBA0 1/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL2706675 0.99 NPC1 (0.55) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL206712 0.90 NPC1 (0.54) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL207577 0.90 NPC1 (0.54) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL205487 0.88 NPC1 (0.52) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL205606 0.84 S1PR1 (0.43) NPC1MEN1KMT2ARAB9ACA12
SCHEMBL206210 0.82 MEN1 (0.55) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL251751 0.82 CSNK2A1 (0.63) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL250739 0.82 CSNK2A1 (0.63) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL207338 0.81 MEN1 (0.60) NPC1MEN1KMT2ARAB9AALOX5
SCHEMBL253019 0.81 PTPN12 (0.61) NPC1MEN1KMT2ARAB9AALOX5

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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US claimed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US claimed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE ACHILLION PHARMACEUTICALS, INC. (US) 2012-05-03 US disclosed
US-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 US disclosed
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 (2 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-20120108576-A1 THIAZOLE COMPOUNDS AND METHODS OF USE PIGS, CPT1A, SLC10A1 NPC1 62/4885MEN1 3862/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885MEN1 3862/4885KMT2A 3476/4885

“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.