SCHEMBL250213

SCHEMBL250213

CCCCCOc1ccc(Nc2nc(CN3CCCC3C(=O)O)cs2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
EGFR P00533 3/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
SLC6A9 P48067 9/20 0.38
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
ENPP2 Q13822 2/20 0.37
SPHK1 Q9NYA1 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
SCHEMBL250212 1.00 MEN1 (0.39) MEN1MAPTKMT2AEGFRPDCD1
SCHEMBL206869 0.90 S1PR1 (0.44) MEN1MAPTKMT2ASLC6A9S1PR1
SCHEMBL205790 0.90 S1PR1 (0.44) MEN1MAPTKMT2ASLC6A9S1PR1
SCHEMBL206328 0.90 S1PR1 (0.44) MEN1MAPTKMT2ASLC6A9S1PR1
SCHEMBL248422 0.86 S1PR5 (0.49) MEN1MAPTKMT2AEGFRCD274
SCHEMBL250377 0.85 SPHK1 (0.47) EGFRENPP2SPHK1
SCHEMBL253248 0.82 MAPT (0.40) MEN1MAPTKMT2AEGFRS1PR4
SCHEMBL253249 0.82 MAPT (0.40) MEN1MAPTKMT2AEGFRS1PR4
SCHEMBL248468 0.82 SPHK1 (0.43) MEN1MAPTKMT2AEGFRS1PR4
SCHEMBL205846 0.81 LMNA (0.46) MEN1MAPTKMT2AEGFRSPHK1

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 MEN1 3862/4885MAPT 2207/4885KMT2A 3476/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 MEN1 3862/4885MAPT 2207/4885KMT2A 3476/4885

“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.