SCHEMBL4210312

SCHEMBL4210312

CC(C)(C)OC(=O)c1ccc(Br)cc1Nc1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 6/20 0.45
AKR1C2 P52895 6/20 0.45
MAPK14 Q16539 4/20 0.40
USP30 Q70CQ3 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.37
EGFR P00533 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
MPO P05164 1/20 0.35

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
SCHEMBL4215379 0.87 AKR1C3 (0.52) AKR1C3AKR1C2MAPK14ABCG2MAPK1
SCHEMBL4213851 0.85 MAPK14 (0.40) AKR1C3AKR1C2MAPK14ABCG2EGFR
SCHEMBL4215373 0.81 MCL1 (0.39) AKR1C3AKR1C2MAPK14ABCG2EGFR
SCHEMBL4217470 0.81 EGFR (0.41) AKR1C3AKR1C2MAPK14ABCG2EGFR
SCHEMBL4215683 0.81 ABCG2 (0.47) AKR1C3AKR1C2ABCG2MAPT
SCHEMBL4228131 0.81 AKR1C3 (0.49) AKR1C3AKR1C2MAPK1ALDH1A1KMT2A
SCHEMBL4219916 0.81 ABCG2 (0.42) MAPK14ABCG2MAPT
SCHEMBL4223112 0.80 MAPK14 (0.48) MAPK14ABCG2HSD17B10ALDH1A1KMT2A
SCHEMBL4222865 0.80 MEN1 (0.39) MAPK14ABCG2EGFRKMT2ANPC1
SCHEMBL13890899 0.79 AKR1C3 (0.59) AKR1C3AKR1C2MAPTMPO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
US-8327467-B2 Anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO., LTD. (JP) 2012-12-11 US disclosed
EP-1860098-B1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO LTD (JP) 2012-11-14 EP disclosed
US-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2009-04-23 US disclosed
EP-1860098-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF TOYAMA CHEMICAL CO., LTD. (JP) 2007-11-28 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-20090105474-A1 NOVEL ANTHRANILIC ACID DERIVATIVE OR SALT THEREOF MMP13, MMP11, MMP3 AKR1C3 105/4885AKR1C2 287/4885MAPK14 91/4885

“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.