SCHEMBL204766

SCHEMBL204766

CCCCCOc1ccc(Nc2nc(CN3CCOCC3)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
KMT2A Q03164 1/20 0.44
KDR P35968 3/20 0.41
EPHB4 P54760 2/20 0.41
EPHA2 P29317 1/20 0.41
S1PR1 P21453 3/20 0.41
AURKA O14965 1/20 0.39
LRRK2 Q5S007 3/20 0.38
SPHK2 Q9NRA0 2/20 0.38
BRAF P15056 3/20 0.37
EGFR P00533 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HIF1A Q16665 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL204378 0.91 S1PR1 (0.42) MEN1TSHRKMT2AKDREPHB4
SCHEMBL208550 0.90 NTRK1 (0.43) RAB9ANPC1TP53HPGDKDR
SCHEMBL251396 0.89 S1PR1 (0.40) MEN1KMT2AS1PR1SPHK2
SCHEMBL206370 0.89 RAB9A (0.46) RAB9ASMN1; SMN2MEN1NPC1TP53
SCHEMBL207106 0.88 S1PR1 (0.42) RAB9AMEN1KMT2AS1PR1SPHK2
SCHEMBL205324 0.87 S1PR1 (0.41) MEN1KMT2AS1PR1SPHK2
SCHEMBL205648 0.86 S1PR1 (0.46) RAB9ASMN1; SMN2MEN1NPC1KMT2A
SCHEMBL205226 0.85 S1PR1 (0.45) RAB9ASMN1; SMN2MEN1NPC1KMT2A
SCHEMBL205942 0.85 CDK4 (0.41) MEN1KMT2AS1PR1SPHK2
SCHEMBL2696943 0.85 S1PR1 (0.39) EPHB4EPHA2S1PR1SPHK2BRAF

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 RAB9A 1357/4885SMN1; SMN2 3252/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 RAB9A 1357/4885SMN1; SMN2 3252/4885MEN1 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.