SCHEMBL205301

SCHEMBL205301

CCCCCOc1ccc(Nc2nc(CN3CCN(C(=O)OC(C)(C)C)CC3)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.44
ACKR3 P25106 4/20 0.40
RXFP1 Q9HBX9 1/20 0.37
TBK1 Q9UHD2 2/20 0.36
EPHX2 P34913 1/20 0.36
ALK Q9UM73 2/20 0.36
SPHK2 Q9NRA0 2/20 0.36
MAPT P10636 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
GPR119 Q8TDV5 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
SCHEMBL2700504 0.91 GPR119 (0.42) S1PR1ACKR3TBK1EPHX2MAPT
SCHEMBL208550 0.86 NTRK1 (0.43) S1PR1SPHK2
SCHEMBL204378 0.85 S1PR1 (0.42) S1PR1SPHK2MAPTTHRATHRB
SCHEMBL205648 0.85 S1PR1 (0.46) S1PR1SPHK2MAPTTHRATHRB
SCHEMBL252936 0.85 EPHX2 (0.45) ACKR3EPHX2MAPTALDH1A1GPR119
SCHEMBL205226 0.85 S1PR1 (0.45) S1PR1SPHK2MAPTTHRATHRB
SCHEMBL207106 0.84 S1PR1 (0.42) S1PR1SPHK2MAPTTHRATHRB
SCHEMBL206548 0.84 S1PR1 (0.41) S1PR1SPHK2MAPTTHRATHRB
SCHEMBL204766 0.84 RAB9A (0.44) S1PR1SPHK2MEN1KMT2A
SCHEMBL251396 0.83 S1PR1 (0.40) S1PR1SPHK2MAPTMEN1ALDH1A1

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 1259/4885ACKR3 607/4885RXFP1 135/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885ACKR3 607/4885RXFP1 135/4885

“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.