SCHEMBL206548

SCHEMBL206548

CCCCCOc1ccc(Nc2nc(CN3CCC(N(C)C(=O)OC(C)(C)C)C3)cs2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.41
DDR1 Q08345 4/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SPHK2 Q9NRA0 2/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SCN8A Q9UQD0 2/20 0.35
SCN1A P35498 1/20 0.35
MCHR1 Q99705 1/20 0.34
CTSS P25774 1/20 0.34
CCR2 P41597 2/20 0.33
BCHE P06276 1/20 0.33

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
SCHEMBL2706595 0.93 S1PR4 (0.37) S1PR1DDR1MEN1ALDH1A1CYP1A2
SCHEMBL2696943 0.88 S1PR1 (0.39) S1PR1DDR1THRATHRBSPHK2
SCHEMBL253337 0.88 S1PR5 (0.41) S1PR1ALDH1A1MAPT
SCHEMBL205942 0.85 CDK4 (0.41) S1PR1THRATHRBSPHK2MEN1
SCHEMBL205648 0.85 S1PR1 (0.46) S1PR1THRATHRBSPHK2MEN1
SCHEMBL205301 0.84 S1PR1 (0.44) S1PR1THRATHRBSPHK2MEN1
SCHEMBL205226 0.84 S1PR1 (0.45) S1PR1THRATHRBSPHK2MEN1
SCHEMBL250075 0.84 S1PR1 (0.41) S1PR1SPHK2MEN1ALDH1A1CYP1A2
SCHEMBL207106 0.84 S1PR1 (0.42) S1PR1THRATHRBSPHK2MEN1
SCHEMBL205155 0.83 S1PR5 (0.47) S1PR1DDR1SPHK2ALDH1A1MAPT

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 1259/4885DDR1 3014/4885THRA 928/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885DDR1 3014/4885THRA 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.