Sugi Predict

Sugi Predict / Compounds / SCHEMBL205948

SCHEMBL205948

SCHEMBL205948

CCCCCOc1ccc(Nc2nc(C(=O)Nc3ccc(C(F)(F)F)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 5/20 0.47
▸ CA2 P00918 9/20 0.46
▸ CA9 Q16790 9/20 0.46
▸ CA12 O43570 8/20 0.46
▸ CA1 P00915 8/20 0.46
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ CLK1 P49759 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ S1PR4 O95977 2/20 0.38
▸ S1PR5 Q9H228 2/20 0.38
▸ DYRK3 O43781 1/20 0.38
▸ CLK2 P49760 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ DYRK2 Q92630 1/20 0.38
▸ DYRK1B Q9Y463 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ EGFR P00533 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL206001 0.89 S1PR1 (0.49) S1PR1CA2CA9CA12CA1
SCHEMBL204820 0.89 SGMS2 (0.47) S1PR1CA2CA9CA12CA1
SCHEMBL206042 0.89 CA2 (0.59) S1PR1CA2CA9CA12CA1
SCHEMBL206558 0.88 S1PR1 (0.49) S1PR1CA2CA9CA12CA1
SCHEMBL206022 0.87 S1PR1 (0.48) S1PR1CA2CA9CA12CA1
SCHEMBL205913 0.87 S1PR1 (0.50) S1PR1CA2CA9CA12CA1
SCHEMBL206323 0.87 S1PR1 (0.50) S1PR1CA2CA9CA12CA1
SCHEMBL207399 0.86 S1PR1 (0.47) S1PR1CA2CA9CA12CA1
SCHEMBL206224 0.85 S1PR1 (0.54) S1PR1CA2CA9CA12CA1
SCHEMBL206582 0.85 S1PR1 (0.54) S1PR1CA2CA9CA12CA1

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 8 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-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 1259/4885CA2 2057/4885CA9 2170/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 S1PR1 1259/4885CA2 2057/4885CA9 2170/4885

“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.