Sugi Predict

Sugi Predict / Compounds / SCHEMBL207908

SCHEMBL207908

SCHEMBL207908

CCCCCCCCOC(=O)c1ccc(Nc2nc(-c3cnc(OC)nc3)cs2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 5/20 0.44
▸ CA1 P00915 5/20 0.44
▸ CA2 P00918 5/20 0.44
▸ CA9 Q16790 5/20 0.44
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ CFTR P13569 2/20 0.38
▸ PTGES O14684 2/20 0.38
▸ ALOX5 P09917 2/20 0.38
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ HPGDS O60760 1/20 0.37
▸ CSNK2A1 P68400 2/20 0.37
▸ SIRT5 Q9NXA8 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ KDM4E B2RXH2 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
SCHEMBL206563 0.87 ALOX5 (0.48) CA12CA1CA2CA9MEN1
SCHEMBL205446 0.86 MEN1 (0.53) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL205759 0.86 ALOX5 (0.44) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL3130311 0.84 ALOX5 (0.44) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL3130357 0.83 ALOX5 (0.45) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL207601 0.82 S1PR1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2755709 0.82 S1PR1 (0.41) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL2696920 0.81 ALOX5 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL208181 0.80 ALOX5 (0.38) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL207086 0.79 VCP (0.42) MEN1KMT2AMAPTALDH1A1LMNA

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 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-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.