SCHEMBL205645

SCHEMBL205645

CCCCCOc1ccc(Nc2nc(-c3cc(C(=O)OCC)no3)cs2)cn1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.59
ALDH1A1 P00352 5/20 0.58
MAPT P10636 7/20 0.57
POLB P06746 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CA12 O43570 7/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA9 Q16790 7/20 0.47
L3MBTL1 Q9Y468 1/20 0.45
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPV4 Q9HBA0 1/20 0.40
LMNA P02545 2/20 0.39
ACR P10323 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL205708 0.86 CFTR (0.59) CFTRALDH1A1MAPTPOLBKDM4E
SCHEMBL205567 0.84 CFTR (0.57) CFTRALDH1A1MAPTPOLBKDM4E
SCHEMBL205861 0.83 CFTR (0.62) CFTRALDH1A1MAPTPOLBKDM4E
SCHEMBL251736 0.78 ALOX5 (0.47) CFTRALDH1A1MAPTPOLBMEN1
SCHEMBL206783 0.76 MEN1 (0.46) ALDH1A1MAPTCA12CA1CA2
SCHEMBL2868695 0.76 RAB9A (0.42) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL2696898 0.75 CFTR (0.72) CFTRALDH1A1MAPTPOLBKDM4E
SCHEMBL207000 0.75 CA12 (0.42) ALDH1A1MAPTPOLBCA12CA1
SCHEMBL12507400 0.75 ALDH1A1 (0.71) CFTRALDH1A1MAPTPOLBKDM4E
SCHEMBL205681 0.75 ALOX5 (0.54) CFTRALDH1A1MAPTPOLBMEN1

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 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.