SCHEMBL205541

SCHEMBL205541

CCCCCOc1ccc(Nc2nc(C(C)=O)c(C)s2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.51
DHODH Q02127 8/20 0.48
THRA P10827 1/20 0.43
THRB P10828 1/20 0.43
S1PR4 O95977 4/20 0.40
S1PR5 Q9H228 3/20 0.40
PLA2G2D Q9UNK4 1/20 0.37
PTPN1 P18031 1/20 0.36
S1PR3 Q99500 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL10190510 0.86 S1PR1 (0.53) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL2697754 0.83 DHODH (0.53) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL248990 0.82 S1PR1 (0.49) S1PR1DHODHS1PR4S1PR5PTPN1
SCHEMBL206471 0.80 S1PR1 (0.44) S1PR1DHODHS1PR4S1PR5PTPN1
SCHEMBL206167 0.80 S1PR1 (0.49) S1PR1DHODHS1PR4S1PR5PTPN1
SCHEMBL206460 0.79 S1PR1 (0.50) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL207599 0.79 S1PR1 (0.56) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL208026 0.79 DHODH (0.46) S1PR1DHODHS1PR4S1PR5PTPN1
SCHEMBL208472 0.78 S1PR1 (0.52) S1PR1DHODHTHRATHRBS1PR4
SCHEMBL206224 0.78 S1PR1 (0.54) S1PR1THRATHRBS1PR4S1PR5

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 S1PR1 1259/4885DHODH 1219/4885THRA 928/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885DHODH 1219/4885THRA 928/4885

“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.