SCHEMBL207577

SCHEMBL207577

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
CSNK2A1 P68400 9/20 0.53
ALOX5 P09917 1/20 0.49
CSNK2A2 P19784 1/20 0.48
CSNK2B P67870 1/20 0.48
CSNK2A3 Q8NEV1 1/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RARB P10826 3/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
PLA2G4B P0C869 1/20 0.46

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
SCHEMBL206712 0.93 NPC1 (0.54) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL206087 0.90 NPC1 (0.54) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL205487 0.90 NPC1 (0.52) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL250739 0.90 CSNK2A1 (0.63) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL251751 0.90 CSNK2A1 (0.63) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL2706675 0.89 NPC1 (0.55) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL248227 0.88 CSNK2A1 (0.70) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL206210 0.85 MEN1 (0.55) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL205632 0.84 CFTR (0.47) NPC1RAB9AMEN1KMT2ACSNK2A1
SCHEMBL207338 0.83 MEN1 (0.60) NPC1RAB9AMEN1KMT2AALOX5

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 9 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-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 NPC1 62/4885RAB9A 1357/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885RAB9A 1357/4885MEN1 3862/4885

“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.