SCHEMBL206368

SCHEMBL206368

CCCCCCCCOc1ccc(Nc2nc(-c3nc(C(=O)OCC)cs3)cs2)cc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 7/20 0.48
CA1 P00915 7/20 0.48
CA2 P00918 7/20 0.48
CA9 Q16790 7/20 0.48
S1PR1 P21453 3/20 0.46
CFTR P13569 1/20 0.42
LMNA P02545 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HSD17B10 Q99714 1/20 0.41
DHODH Q02127 2/20 0.40
MAPT P10636 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 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
SCHEMBL207333 0.89 S1PR1 (0.48) CA12CA1CA2CA9S1PR1
SCHEMBL205771 0.88 CFTR (0.46) CA12CA1CA2CA9S1PR1
SCHEMBL205567 0.88 CFTR (0.57) CA12CA1CA2CA9S1PR1
SCHEMBL206608 0.84 SMN1; SMN2 (0.43) CA12CA1CA2CA9CFTR
SCHEMBL205606 0.83 S1PR1 (0.43) CA12CA1CA2CA9S1PR1
SCHEMBL206224 0.82 S1PR1 (0.54) CA12CA1CA2CA9S1PR1
SCHEMBL206927 0.82 S1PR1 (0.47) CA12CA1CA2CA9S1PR1
SCHEMBL206582 0.82 S1PR1 (0.54) CA12CA1CA2CA9S1PR1
SCHEMBL207312 0.80 S1PR1 (0.49) CA12CA1CA2CA9S1PR1
SCHEMBL205431 0.80 S1PR1 (0.49) CA12CA1CA2CA9S1PR1

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 CA12 3857/4885CA1 2690/4885CA2 2057/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CA12 3857/4885CA1 2690/4885CA2 2057/4885

“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.