SCHEMBL206523

SCHEMBL206523

CCCCCCCCOc1ccc(Nc2nccs2)cc1C(F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.53
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
S1PR4 O95977 2/20 0.43
S1PR5 Q9H228 2/20 0.43
PLA2G7 Q13093 1/20 0.42
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SPHK2 Q9NRA0 2/20 0.37
CYP2C9 P11712 1/20 0.37
ADORA2A P29274 1/20 0.37
NPC1 O15118 1/20 0.37
ADRB2 P07550 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 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
SCHEMBL206025 0.99 S1PR1 (0.51) S1PR1THRATHRBALDH1A1TDP1
SCHEMBL206968 0.83 S1PR1 (0.47) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL207482 0.83 S1PR1 (0.52) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL206797 0.81 S1PR1 (0.46) S1PR1THRATHRBALDH1A1PKM
SCHEMBL206211 0.81 TDP1 (0.42) S1PR1THRATHRBALDH1A1TDP1
SCHEMBL206266 0.81 ALDH1A1 (0.42) S1PR1ALDH1A1TDP1PLA2G7MEN1
SCHEMBL205187 0.81 S1PR1 (0.50) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL4218812 0.81 S1PR1 (0.50) S1PR1THRATHRBS1PR4S1PR5
SCHEMBL206820 0.81 S1PR1 (0.48) S1PR1THRATHRBALDH1A1S1PR4
SCHEMBL207040 0.81 S1PR1 (0.44) S1PR1THRATHRBALDH1A1S1PR4

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 1259/4885THRA 928/4885THRB 1003/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885THRA 928/4885THRB 1003/4885

“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.