SCHEMBL6248581

SCHEMBL6248581

COc1cccc(Oc2cc(-n3c(=O)cc(C(F)(F)F)n(C)c3=O)c(F)cc2C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 15/20 0.54
BCAT2 O15382 10/20 0.54
AR P10275 4/20 0.40
PGR P06401 1/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38

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
SCHEMBL6242603 0.92 BCAT1 (0.54) BCAT1BCAT2ARPGR
SCHEMBL6244770 0.90 BCAT1 (0.53) BCAT1BCAT2AR
SCHEMBL7227999 0.87 BCAT1 (0.47) BCAT1BCAT2AR
SCHEMBL7236182 0.87 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL6697539 0.86 BCAT1 (0.51) BCAT1BCAT2
SCHEMBL6703569 0.86 BCAT1 (0.46) BCAT1BCAT2AR
SCHEMBL6243698 0.86 L3MBTL1 (0.47) BCAT1BCAT2
SCHEMBL6246191 0.86 L3MBTL1 (0.37) BCAT1BCAT2
SCHEMBL6694619 0.84 BCAT2 (0.48) BCAT1BCAT2AR
SCHEMBL6243873 0.83 SMN1; SMN2 (0.36) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1106607-B1 Uracil compounds and their use SUMITOMO CHEMICAL CO (JP) 2005-07-27 EP disclosed
US-6667413-B2 Aniline derivatives; herbicides; nonphytotoxic SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-12-23 US disclosed
US-20030130124-A1 Herbicides SUMITOMO CHEMICAL COMPANY, LIMITED 2003-07-10 US disclosed
US-6451740-B2 HERBICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-09-17 US disclosed
US-20020013466-A1 Uracil compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-01-31 US disclosed
EP-1106607-A2 Uracil compounds and their use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-06-13 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 (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-20030130124-A1 Herbicides CBR3, CBR1, MT-CO1 BCAT1 492/4885BCAT2 650/4885AR 4418/4885
US-20020013466-A1 Uracil compounds and use thereof UNG, MRM1, OGG1 BCAT1 450/4885BCAT2 648/4885AR 4572/4885

“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.