SCHEMBL205937

SCHEMBL205937

CCCCCCCCOc1ccc(Nc2nccs2)cc1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
PKM P14618 2/20 0.48
UNG P13051 2/20 0.47
LMNA P02545 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CDC25B P30305 1/20 0.46
NR5A1 Q13285 1/20 0.46
PLA2G4A P47712 1/20 0.46
FAAH O00519 7/20 0.45

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
SCHEMBL3525964 0.90 PKM (0.50) NPC1RAB9AL3MBTL1PKMLMNA
SCHEMBL1128464 0.80 NR5A1 (0.63) NPC1RAB9AUNGNR5A1FAAH
SCHEMBL11470886 0.80 NR5A1 (0.63) NPC1RAB9AUNGNR5A1FAAH
SCHEMBL8962079 0.80 NR5A1 (0.63) NPC1RAB9AUNGNR5A1FAAH
SCHEMBL8324472 0.78 NPC1 (0.64) NPC1RAB9AL3MBTL1UNGNR5A1
SCHEMBL206523 0.78 S1PR1 (0.53) NPC1RAB9AL3MBTL1PKMLMNA
SCHEMBL206623 0.77 MAPT (0.51) NPC1RAB9AL3MBTL1UNGALDH1A1
SCHEMBL207815 0.77 MAPT (0.51) NPC1RAB9AL3MBTL1UNGALDH1A1
SCHEMBL251286 0.77 ALOX5 (0.52) UNGNR5A1FAAH
SCHEMBL206510 0.77 CA12 (0.49) NPC1RAB9AUNGCDC25BFAAH

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 8 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 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 1357/4885L3MBTL1 479/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 NPC1 62/4885RAB9A 1357/4885L3MBTL1 479/4885

“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.