SCHEMBL5582086

SCHEMBL5582086

CCc1cc(CC(=O)O)sc1Br

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
THRB P10828 5/20 0.38
THRA P10827 4/20 0.35
GSK3B P49841 2/20 0.34
DAO P14920 1/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
KMT2A Q03164 2/20 0.34
USP2 O75604 2/20 0.33
ALOX15 P16050 1/20 0.33
MAPT P10636 2/20 0.33
GAA P10253 1/20 0.33
RPS6KB2 Q9UBS0 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL4367730 0.79 POLB (0.41) POLBL3MBTL1THRBTHRAGSK3B
SCHEMBL29185140 0.79 GSK3B (0.50) POLBL3MBTL1THRBTHRAGSK3B
SCHEMBL4987918 0.77 DAO (0.44) GSK3BDAOKMT2AUSP2ALOX15
SCHEMBL9092222 0.73 GSK3B (0.39) POLBL3MBTL1GSK3BHPGDMAPT
SCHEMBL10690798 0.72 POLB (0.41) POLBL3MBTL1THRBTHRADAO
SCHEMBL365715 0.71 AKR1B1 (0.38) POLBL3MBTL1THRBGSK3BDAO
SCHEMBL26924056 0.71 MAPK1 (0.32) HSD17B10MAPTGAAALDH1A1
SCHEMBL7351632 0.70 HPGD (0.41) POLBL3MBTL1DAOHPGDKMT2A
SCHEMBL27836185 0.69 GAA (0.49) POLBDAOHPGDHSD17B10KMT2A
SCHEMBL4572759 0.69

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225308-A1 2-Amino Quinazoline Derivative KYOWA HAKKO KOGYO CO.,LTD. (JP) 2007-09-27 US disclosed
EP-1726584-A1 2-AMINOQUINAZOLINE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-11-29 EP 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 (1 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-20070225308-A1 2-Amino Quinazoline Derivative AGTR2, ABL1, AGTR1 POLB 3974/4885L3MBTL1 1507/4885THRB 2325/4885

“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.