SCHEMBL206990

SCHEMBL206990

CCCCCCCCOc1ccc(Nc2nc(-c3ccc4c(c3)COC4=O)cs2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.43
FLT3 P36888 1/20 0.43
S1PR1 P21453 4/20 0.41
MCHR1 Q99705 1/20 0.38
MEN1 O00255 4/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
PDE4D Q08499 1/20 0.37
PRF1 P14222 1/20 0.37
ALOX5 P09917 1/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
PTGS2 P35354 2/20 0.37
PTGES O14684 1/20 0.37
CASP3 P42574 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
SCHEMBL10253072 0.86 S1PR1 (0.42) S1PR1MCHR1MEN1ALDH1A1MAPT
SCHEMBL207796 0.83 MAPT (0.56) S1PR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL204308 0.83 ALDH1A1 (0.60) S1PR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL206509 0.82 SMN1; SMN2 (0.57) MEN1ALDH1A1MAPTKMT2ASMN1; SMN2
SCHEMBL2698212 0.82 ALDH1A1 (0.61) S1PR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL206430 0.82 ALOX5 (0.47) S1PR1MCHR1MEN1MAPTKMT2A
SCHEMBL207803 0.81 HSPD1 (0.50) S1PR1MEN1ALDH1A1MAPTKMT2A
SCHEMBL2697512 0.81 CFTR (0.53) S1PR1MEN1MAPTKMT2AMAPK1
SCHEMBL208686 0.81 S1PR1 (0.46) S1PR1MCHR1MEN1MAPTKMT2A
SCHEMBL206060 0.81 PTGES (0.46) S1PR1MCHR1MEN1KMT2AALOX5

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 claimed
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-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 CHEK1 3562/4885FLT3 3574/4885S1PR1 1259/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CHEK1 3562/4885FLT3 3574/4885S1PR1 1259/4885

“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.