SCHEMBL2285229

SCHEMBL2285229

COc1cc(C(F)(F)F)nc(C(SC)c2cccc(F)c2N)n1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
KDM4E B2RXH2 2/20 0.32
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
MAPT P10636 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL2287633 0.90 EDNRB (0.35) KDM4EEDNRBEDNRA
SCHEMBL2292358 0.88 KDM4E (0.38) GAAKDM4EMAPTL3MBTL1HSD17B10
SCHEMBL2287221 0.85 GAA (0.40) GAAKDM4EEDNRBEDNRAMAPT
SCHEMBL2291751 0.85 KMT2A (0.34) EDNRBEDNRA
SCHEMBL2287340 0.84 GAA (0.39) GAAKDM4EEDNRBEDNRAMAPT
SCHEMBL2286465 0.84 GAA (0.39) GAAKDM4EEDNRBEDNRAMAPT
SCHEMBL2287644 0.78 NPC1 (0.32)
SCHEMBL2291153 0.77 KCNK3 (0.33) KDM4E
SCHEMBL3781495 0.76 KDM4E (0.39) GAAKDM4EMAPTL3MBTL1
SCHEMBL2282271 0.76 MEN1 (0.35) GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773124-B1 A USE OF SULFONANILIDES AS AGRICULTURAL AND HORTICULTURAL FUNGICIDE BAYER CROPSCIENCE AG (DE) 2012-08-22 EP disclosed
US-8008484-B2 Use of sulfonanilides as agricultural and horticultural fungicide BAYER CROPSCIENCE AG (DE) 2011-08-30 US disclosed
US-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide BAYER CROPSCIENCE AG (DE) 2007-09-20 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-20070219199-A1 Use of Sulfonanilides as Agricultural and Horticultural Fungicide CBR3, CYP51A1, CBR1 GAA 2292/4885KDM4E 1374/4885EDNRB 2225/4885

“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.