SCHEMBL248227

SCHEMBL248227

CCCCCCCCOc1ccc(Nc2nc(-c3ccc(C(=O)O)cc3)cs2)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 7/20 0.70
NPC1 O15118 2/20 0.60
RAB9A P51151 2/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
KMT2A Q03164 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
RARB P10826 3/20 0.60
ALOX5 P09917 1/20 0.59
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
PLA2G4B P0C869 3/20 0.56
PTGS2 P35354 1/20 0.53
PLA2G4A P47712 1/20 0.52

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
SCHEMBL250739 0.90 CSNK2A1 (0.63) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL251751 0.90 CSNK2A1 (0.63) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL250646 0.90 ALOX5 (0.59) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL249661 0.88 KMT2A (0.59) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL207577 0.88 NPC1 (0.54) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL249562 0.87 ALOX5 (0.77) NPC1RAB9AMEN1MAPTKMT2A
SCHEMBL207091 0.87 RAB9A (0.66) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL207938 0.86 PTGS2 (0.73) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL205162 0.86 PTGS2 (0.73) CSNK2A1NPC1RAB9AMEN1MAPT
SCHEMBL253019 0.85 PTPN12 (0.61) CSNK2A1NPC1RAB9AMEN1MAPT

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 10 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-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-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-8088806-B2 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. (US) 2012-01-03 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
US-20070004711-A1 Thiazole compounds and methods of use ACHILLION PHARMACEUTICALS, INC. 2007-01-04 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 CSNK2A1 1577/4885NPC1 62/4885RAB9A 1357/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CSNK2A1 1577/4885NPC1 62/4885RAB9A 1357/4885

“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.