SCHEMBL206159

SCHEMBL206159

CCCCC=CCCOc1ccc(Nc2nc(-c3ccc(F)cc3)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 7/20 0.44
CFTR P13569 1/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1B1 Q16678 2/20 0.43
NPY5R Q15761 1/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A1 P04798 1/20 0.40
CYP1A2 P05177 1/20 0.40
VCP P55072 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
SCHEMBL206158 1.00 ALOX5 (0.44) ALOX5CFTRNPC1RAB9AMAPT
SCHEMBL206913 0.91 CYP1B1 (0.45) ALOX5CFTRNPC1RAB9AMAPT
SCHEMBL206912 0.91 CYP1B1 (0.45) ALOX5CFTRNPC1RAB9AMAPT
SCHEMBL206916 0.91 ALOX5 (0.48) ALOX5CFTRNPC1RAB9AMAPT
SCHEMBL206430 0.90 ALOX5 (0.47) ALOX5CFTRNPC1RAB9AMAPT
SCHEMBL206854 0.89 ALOX5 (0.39) ALOX5NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL206855 0.89 ALOX5 (0.39) ALOX5NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL206330 0.87 MEN1 (0.52) NPC1RAB9AMAPTSMN1; SMN2CYP1B1
SCHEMBL206329 0.87 MEN1 (0.52) NPC1RAB9AMAPTSMN1; SMN2CYP1B1
SCHEMBL4208161 0.84 ALOX5 (0.48) ALOX5CFTRNPC1RAB9AMAPT

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 3 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-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 ALOX5 3410/4885CFTR 111/4885NPC1 62/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALOX5 3410/4885CFTR 111/4885NPC1 62/4885

“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.