SCHEMBL3793403

SCHEMBL3793403

COC(=O)Nc1cccc(Cl)c1NC(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.53
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CXCL8 P10145 2/20 0.45
PDK1 Q15118 1/20 0.45
PDK2 Q15119 1/20 0.45
PDK3 Q15120 1/20 0.45
PDK4 Q16654 1/20 0.45
TYK2 P29597 1/20 0.44
MAPT P10636 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL2093283 0.91 NLRP3 (0.60) NLRP3ALDH1A1HPGDKDM4EPDK1
SCHEMBL9819481 0.84 KMT2A (0.62) ALDH1A1HPGDKDM4EPDK1PDK2
SCHEMBL3790491 0.83 LCK (0.52) NLRP3ALDH1A1CXCL8PDK1PDK2
SCHEMBL3788964 0.83 ALDH1A1 (0.75) NLRP3ALDH1A1HPGDKDM4EMAPT
SCHEMBL513878 0.83 MEN1 (0.58) ALDH1A1HPGDKDM4EPDK1PDK2
SCHEMBL3780963 0.83 KMT2A (0.56) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL2091197 0.82 ALDH1A1 (0.73) ALDH1A1HPGDKDM4EMAPT
SCHEMBL3783627 0.81 GPR35 (0.57) ALDH1A1HPGDKDM4EPDK1PDK2
SCHEMBL2093882 0.81 RAF1 (0.53) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL1023162 0.80 HPGD (0.50) NLRP3ALDH1A1HPGDMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 NLRP3 1774/4885ALDH1A1 4339/4885HPGD 2790/4885

“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.