SCHEMBL1640118

SCHEMBL1640118

CCC(C(=O)O)c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.55
AKR1C2 P52895 5/20 0.55
ALDH1A1 P00352 3/20 0.50
POLB P06746 1/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.43
THRB P10828 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
TP53 P04637 1/20 0.42
HIF1A Q16665 1/20 0.41
NPC1 O15118 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 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
SCHEMBL1640119 1.00 AKR1C3 (0.55) AKR1C3AKR1C2ALDH1A1POLBGAA
SCHEMBL4197252 0.84 CYP1A2 (0.50) AKR1C3AKR1C2ALDH1A1GAAHTT
SCHEMBL31248053 0.84 CYP1A2 (0.50) AKR1C3AKR1C2ALDH1A1GAAHTT
SCHEMBL508752 0.84 AKR1C3 (0.47) AKR1C3AKR1C2ALDH1A1POLBGAA
SCHEMBL4658229 0.83 AKR1C3 (0.46) AKR1C3AKR1C2ALDH1A1POLBGAA
SCHEMBL9070339 0.83 TDP1 (0.51) AKR1C3AKR1C2ALDH1A1GAAHTT
SCHEMBL4658986 0.81 ALDH1A1 (0.49) AKR1C3AKR1C2ALDH1A1POLBGAA
SCHEMBL4369630 0.81 GAA (0.50) AKR1C3AKR1C2ALDH1A1POLBGAA
SCHEMBL4369639 0.81 GAA (0.50) AKR1C3AKR1C2ALDH1A1POLBGAA
SCHEMBL16216330 0.81 AKR1C3 (0.52) AKR1C3AKR1C2ALDH1A1GAAHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors GLAXOSMITHKLINE LLC 2011-04-28 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 (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-20110098296-A1 Thiazole And Oxazole Kinase Inhibitors PDXK, MAP3K1, MAP4K2 AKR1C3 3817/4885AKR1C2 3565/4885ALDH1A1 3014/4885

“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.