SCHEMBL13078652

SCHEMBL13078652

COc1cc(CO)nc(C(O)c2cccc(F)c2N)n1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
RAB9A P51151 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
VSIR Q9H7M9 1/20 0.32
CTSA P10619 1/20 0.30

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
SCHEMBL2289444 0.89 EDNRB (0.39) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL2284490 0.84 KMT2A (0.38) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL2286465 0.81 GAA (0.39) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL14445636 0.78 NPC1 (0.32) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL5497132 0.78 EDNRB (0.37) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL14446467 0.78 NPC1 (0.32) CXCR2NPC1CYP1A2RAB9AEDNRB
SCHEMBL3741461 0.77 NPC1 (0.35) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL2288861 0.75 NPC1 (0.35) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL2288811 0.75 NPC1 (0.35) NPC1CYP1A2RAB9AEDNRBEDNRA
SCHEMBL12416005 0.74 HSP90AA1 (0.35) CTSA

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-7829703-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2010-11-09 US disclosed
US-7482308-B2 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2009-01-27 US disclosed
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2008-12-18 US disclosed
US-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides BAYER CROPSCIENCE AG (DE) 2007-08-23 US disclosed
EP-1750510-B1 DIFLUOROMETHANESULFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2007-08-22 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-20070197390-A1 Difluoromethanesulfonyl anilide derivatives useful as herbicides PFAS, DDT, HDHD5 CXCR2 1825/4885NPC1 4678/4885CYP1A2 676/4885
US-20080312084-A1 DIFLUOROMETHANESFONYL ANILIDE DERIVATIVES USEFUL AS HERBICIDES HDHD5, PFAS, DDT CXCR2 1452/4885NPC1 4580/4885CYP1A2 539/4885

“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.