Sugi Predict

Sugi Predict / Compounds / SCHEMBL205708

SCHEMBL205708

SCHEMBL205708

CCCCCOc1ccc(Nc2nc(-c3cc(C(=O)OCC)no3)cs2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFTR P13569 1/20 0.59
▸ ALDH1A1 P00352 4/20 0.56
▸ MAPT P10636 6/20 0.55
▸ KDM4E B2RXH2 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CA12 O43570 6/20 0.45
▸ CA1 P00915 6/20 0.45
▸ CA2 P00918 6/20 0.45
▸ CA9 Q16790 6/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ DHODH Q02127 2/20 0.42
▸ LMNA P02545 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ S1PR4 O95977 1/20 0.40
▸ S1PR1 P21453 1/20 0.40
▸ S1PR3 Q99500 1/20 0.40
▸ S1PR5 Q9H228 1/20 0.40
▸ HSD17B10 Q99714 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
SCHEMBL205567 0.89 CFTR (0.57) CFTRALDH1A1MAPTKDM4EPOLB
SCHEMBL10190593 0.88 CFTR (0.45) CFTRALDH1A1MAPTCA12CA1
SCHEMBL205645 0.86 CFTR (0.59) CFTRALDH1A1MAPTKDM4EPOLB
SCHEMBL205861 0.82 CFTR (0.62) CFTRALDH1A1MAPTKDM4EPOLB
SCHEMBL207532 0.79 ALOX5 (0.46) CFTRALDH1A1MAPT
SCHEMBL251202 0.79 SIRT5 (0.55) ALDH1A1MAPTKDM4EPOLBLMNA
SCHEMBL251456 0.79 CSNK2A1 (0.56) CFTRMAPT
SCHEMBL207054 0.78 MAPT (0.54) ALDH1A1MAPTPOLBLMNANPSR1
SCHEMBL205496 0.77 PTGES (0.46) CFTRALDH1A1MAPTPOLBS1PR4
SCHEMBL207101 0.77 SMN1; SMN2 (0.53) ALDH1A1MAPTKDM4ELMNA

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 claimed
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 CFTR 111/4885ALDH1A1 109/4885MAPT 2207/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 CFTR 111/4885ALDH1A1 109/4885MAPT 2207/4885

“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.