SCHEMBL250377

SCHEMBL250377

CCCCCOc1ccc(Nc2nc(CN3CCCCC3CO)cs2)cc1F

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 16/20 0.47
SPHK2 Q9NRA0 14/20 0.47
EGFR P00533 1/20 0.41
ENPP2 Q13822 2/20 0.38
ERBB2 P04626 1/20 0.38
EPHA2 P29317 1/20 0.38
KDR P35968 1/20 0.38
EPHB4 P54760 1/20 0.38

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
SCHEMBL250212 0.85 MEN1 (0.39) SPHK1EGFRENPP2
SCHEMBL250213 0.85 MEN1 (0.39) SPHK1EGFRENPP2
SCHEMBL248376 0.84 SPHK1 (0.40) SPHK1SPHK2EGFRKDR
SCHEMBL248468 0.82 SPHK1 (0.43) SPHK1SPHK2EGFRENPP2ERBB2
SCHEMBL207524 0.81 MAPT (0.37) SPHK1EGFR
SCHEMBL250069 0.81 MEN1 (0.37) SPHK1ENPP2ERBB2
SCHEMBL205154 0.81 GALR1 (0.36) SPHK1EGFREPHA2KDREPHB4
SCHEMBL2698483 0.81 CDK4 (0.44) SPHK1SPHK2EGFRERBB2
SCHEMBL205846 0.80 LMNA (0.46) SPHK1EGFRERBB2EPHA2KDR
SCHEMBL206370 0.79 RAB9A (0.46) EGFRERBB2EPHA2KDREPHB4

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 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 SPHK1 3353/4885SPHK2 4034/4885EGFR 4055/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SPHK1 3353/4885SPHK2 4034/4885EGFR 4055/4885

“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.