SCHEMBL205670

SCHEMBL205670

CCCCCOc1ccc(Nc2nc(-c3nc4ccccc4s3)cs2)cc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SAE1 Q9UBE0 1/20 0.43
S1PR1 P21453 3/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CYP1A1 P04798 4/20 0.40
CYP1A2 P05177 4/20 0.40
CYP1B1 Q16678 4/20 0.40
VCP P55072 1/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39

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
SCHEMBL206526 0.84 NPY5R (0.57) S1PR1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL205776 0.83 S1PR1 (0.41) S1PR1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL205519 0.83 S1PR1 (0.44) S1PR1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL207944 0.83 NPY5R (0.56) S1PR1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL205868 0.83 S1PR1 (0.42) S1PR1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL206797 0.83 S1PR1 (0.46) S1PR1VCPNPC1ALDH1A1RAB9A
SCHEMBL206536 0.82 NPY5R (0.48) S1PR1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL250321 0.82 S1PR1 (0.48) S1PR1VCPNPC1ALDH1A1RAB9A
SCHEMBL207241 0.82 PTGS2 (0.48) S1PR1CYP1A1CYP1A2CYP1B1VCP
SCHEMBL250067 0.82 VCP (0.54) S1PR1CYP1A1CYP1A2CYP1B1VCP

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 SAE1 1746/4885S1PR1 1259/4885HDAC1 32/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 SAE1 1746/4885S1PR1 1259/4885HDAC1 32/4885

“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.