SCHEMBL5427673

SCHEMBL5427673

CS(=O)(=O)NC(=O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 13/20 0.70
SCN9A Q15858 3/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
SCN5A Q14524 1/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
STK39 Q9UEW8 1/20 0.48

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
SCHEMBL10661457 0.91 MRGPRX4 (0.61) MRGPRX4SCN9ACYP1A2CYP3A4CYP2D6
SCHEMBL680193 0.91 MRGPRX4 (0.61) MRGPRX4SCN9ASCN5ASTK39
SCHEMBL10877691 0.88 CYP1A2 (0.54) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL11005891 0.86 MRGPRX4 (0.52) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL8550325 0.84 MRGPRX4 (0.54) MRGPRX4
SCHEMBL11355405 0.83 MRGPRX4 (0.49) MRGPRX4SCN9ALMNAMAPT
SCHEMBL10673556 0.83 MRGPRX4 (0.67) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10613595 0.83 MAOB (0.55) MRGPRX4CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22481025 0.82 MRGPRX4 (1.00) MRGPRX4
SCHEMBL10656511 0.82 MRGPRX4 (0.52) MRGPRX4SCN9ASCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070055077-A1 CHEMICAL PROCESS SYNGENTA LIMITED (GB) 2007-03-08 US disclosed
US-20030191341-A1 Chemical process BROWN STEPHEN MARTIN (GB) 2003-10-09 US disclosed
EP-0937015-B1 NITRATION PROCESS SYNGENTA LTD (GB) 2001-09-26 EP disclosed
EP-0851852-B1 PROCESS FOR NITRATING DIPHENYL ETHER COMPOUNDS ZENECA LTD (GB) 2000-04-05 EP disclosed
US-6028219-A NITRATING WITH A MIXTURE OF NITRIC AND SULPHURIC ACIDS IN THE PRESENCE OF A SOLVENT TETRACHLOROETHYLENE AND IN THE PRESENCE OF ACETIC ANHYDRIDE; CHEMICAL INTERMEDIATES IN THE SYNTHESIS OF HERBICIDES ZENECA LIMITED (GB) 2000-02-22 US disclosed
US-5952531-A NITRATION OF AN AROMATIC OR HETEROAROMATIC COMPOUND WITH A NITRATING AGENT COMPRISING NITRIC ACID OR A MIXTURE OF NITRIC AND SULPHURIC ACIDS IN AN ESTER SOLVENT ZENECA LIMITED (GB) 1999-09-14 US disclosed
EP-0937015-A1 NITRATION PROCESS ZENECA LIMITED (GB) 1999-08-25 EP disclosed
EP-0668260-B1 Process for phosgenation in the presence of acetonitrile ZENECA LTD (GB) 1998-08-12 EP disclosed
US-5792888-A Process for phosgenation in the presence of acetonitrile ZENECA LIMITED (GB) 1998-08-11 US disclosed
WO-1998019978-A1 NITRATION PROCESS ZENECA LIMITED (GB) 1998-05-14 WO disclosed
EP-0668260-A1 Process for phosgenation in the presence of acetonitrile ZENECA LIMITED (GB) 1995-08-23 EP disclosed
EP-0274194-B1 PROCESS FOR THE PREPARATION OF 2-NITRO-5-PHENOXY-N-ALKYLSULFONYL BENZAMIDES BY NITRATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-03-18 EP disclosed
US-4845285-A Chemical process IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-07-04 US disclosed
EP-0274194-A1 Process for the preparation of 2-nitro-5-phenoxy-N-alkylsulfonyl benzamides by nitration IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-07-13 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-20070055077-A1 CHEMICAL PROCESS CBR3, CBR1, CA6 MRGPRX4 562/4885SCN9A 1484/4885CYP1A2 175/4885
US-20030191341-A1 Chemical process CBR1, CBR3, CA4 MRGPRX4 1087/4885SCN9A 1075/4885CYP1A2 66/4885

“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.