SCHEMBL207650

SCHEMBL207650

CCCCCCCCOc1ccc(Nc2nc(-c3cccc(OC)n3)cs2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 3/20 0.43
MPL P40238 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
NPY5R Q15761 1/20 0.40
ALOX5 P09917 1/20 0.39
CYP1A2 P05177 3/20 0.39
CYP1A1 P04798 2/20 0.39
CYP1B1 Q16678 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MCHR1 Q99705 1/20 0.38
VCP P55072 3/20 0.37
PTGES O14684 1/20 0.37
NTSR1 P30989 1/20 0.36
CSNK2A2 P19784 1/20 0.36

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
SCHEMBL208365 0.89 S1PR1 (0.44) S1PR1MPLMEN1KMT2AMAPT
SCHEMBL207944 0.86 NPY5R (0.56) S1PR1MEN1KMT2AMAPTLMNA
SCHEMBL208681 0.86 ALOX5 (0.46) S1PR1MEN1KMT2AMAPTGAA
SCHEMBL206526 0.85 NPY5R (0.57) S1PR1MEN1KMT2AMAPTALDH1A1
SCHEMBL207312 0.85 S1PR1 (0.49) S1PR1MEN1KMT2AMAPTALDH1A1
SCHEMBL206927 0.85 S1PR1 (0.47) S1PR1MEN1KMT2AMAPTALDH1A1
SCHEMBL206496 0.85 ALOX5 (0.46) S1PR1MEN1KMT2AMAPTGAA
SCHEMBL206797 0.84 S1PR1 (0.46) S1PR1MPLMEN1KMT2AMAPT
SCHEMBL250321 0.84 S1PR1 (0.48) S1PR1MPLMEN1KMT2AMAPT
SCHEMBL250067 0.84 VCP (0.54) S1PR1MEN1KMT2AMAPTALDH1A1

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 10 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-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 1259/4885MPL 4094/4885MEN1 3862/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885MPL 4094/4885MEN1 3862/4885

“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.