SCHEMBL205173

SCHEMBL205173

Cc1sc(NC(=O)c2ccccc2)nc1-c1ccc(OCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
LMNA P02545 3/20 0.59
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
ADORA3 P0DMS8 6/20 0.58
HSD17B10 Q99714 2/20 0.57
MAPK1 P28482 1/20 0.57
RAB9A P51151 4/20 0.55
NPC1 O15118 3/20 0.55
PKM P14618 2/20 0.55
ALOX5 P09917 1/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP1A2 P05177 1/20 0.55
ADORA1 P30542 4/20 0.54
KMT2A Q03164 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
MEN1 O00255 4/20 0.53
NPSR1 Q6W5P4 1/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.53

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
SCHEMBL14995137 0.86 ADORA1 (0.71) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL17107156 0.84 ALDH1A1 (0.79) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL207558 0.83 ALDH1A1 (0.63) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL205687 0.81 KMT2A (0.67) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL2753568 0.78 ADORA3 (0.73) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL205266 0.78 DHODH (0.50) ALDH1A1HSD17B10MAPK1CYP2C9CYP2C19
SCHEMBL16607188 0.78 KDM4E (0.55) ALDH1A1LMNAKDM4EPOLBMAPK1
SCHEMBL12249187 0.77 ALDH1A1 (0.76) ALDH1A1LMNAKDM4EPOLBADORA3
SCHEMBL206635 0.77 PTGS2 (0.58) ALDH1A1LMNAHSD17B10MAPK1SMN1; SMN2
SCHEMBL2697621 0.77 ALDH1A1 (0.52) ALDH1A1LMNAKDM4EPOLBHSD17B10

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 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 ALDH1A1 109/4885LMNA 2668/4885KDM4E 2649/4885
US-20070004711-A1 Thiazole compounds and methods of use PIGS, CPT1A, SLC10A1 ALDH1A1 109/4885LMNA 2668/4885KDM4E 2649/4885

“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.