SCHEMBL4142017

SCHEMBL4142017

CN(C(=O)NC(=O)c1c(F)cccc1F)c1ccc([S+]([O-])C(F)(F)C(F)F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
RORC P51449 2/20 0.33
USP2 O75604 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATM Q13315 1/20 0.32
CYP1A2 P05177 1/20 0.31
IL2 P60568 2/20 0.30
ITGB2 P05107 1/20 0.30
ICAM1 P05362 1/20 0.30
ITGAL P20701 1/20 0.30
RAB9A P51151 1/20 0.30
TLR7 Q9NYK1 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
SCHEMBL4148243 0.89 RORC (0.35) TRPA1MEN1KMT2ARORCUSP2
SCHEMBL4636303 0.89 KAT6A (0.31)
SCHEMBL4150845 0.82 RORC (0.35) RORCTLR7
SCHEMBL4150636 0.78 KMT2A (0.36) TRPA1MEN1KMT2ARORCUSP2
SCHEMBL4150618 0.78 RORC (0.33) TRPA1MEN1KMT2ARORCRAB9A
SCHEMBL4913867 0.78 MAPT (0.42) TRPA1MEN1KMT2AUSP2MAPT
SCHEMBL4149643 0.78 RORC (0.31) TRPA1MEN1KMT2ARORCRAB9A
SCHEMBL14546151 0.77 KMT2A (0.34) TRPA1MEN1KMT2ARORCUSP2
SCHEMBL4145038 0.77 ATM (0.35) TRPA1MEN1KMT2ARORCUSP2
SCHEMBL4908707 0.77 IL2 (0.44) TRPA1RORCCYP1A2IL2TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090176786-A1 Benzoylurea Compounds and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
US-20090176786-A1 Benzoylurea Compounds and Use Thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-09 US disclosed
EP-1937629-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-07-02 EP disclosed
WO-2007046513-A2 BENZOYLUREA COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-04-26 WO 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-20090176786-A1 Benzoylurea Compounds and Use Thereof BTK, BRIX1, NFXL1 TRPA1 268/4885MEN1 1863/4885KMT2A 738/4885

“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.