SCHEMBL977040

SCHEMBL977040

C=CCN(CCC)S(=O)(=O)NC(=O)c1cc(N=C=O)c(F)cc1Cl

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 12/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
RORC P51449 2/20 0.32
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 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
SCHEMBL973560 0.92 SCN9A (0.34) SCN9APOLBAPEX1CYP2C19HTT
SCHEMBL974812 0.83 SCN9A (0.36) SCN9APOLBAPEX1CYP2C19HTT
SCHEMBL975289 0.80 VCAM1 (0.40) SCN9APOLBAPEX1CYP2C19HTT
SCHEMBL974515 0.79 SCN9A (0.43) SCN9APOLBAPEX1CYP2C19
SCHEMBL977041 0.78 HPGD (0.31) RORCCYP2C19
SCHEMBL973561 0.70 HTT (0.31) HTTRECQL
SCHEMBL9877599 0.68 HSP90AA1 (0.38) POLBAPEX1
SCHEMBL10481252 0.68 HSP90AA1 (0.38) POLBAPEX1
SCHEMBL972982 0.67 HPGD (0.44) SCN9A
SCHEMBL9423172 0.67 POLB (0.37) POLBAPEX1CYP2C19HTTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
US-8541611-B2 Bifunctional phenyl iso(thio)cyanates, processes and intermediates products for their preparation BASF AKTIENGESELLSCHAFT (DE) 2013-09-24 US disclosed
EP-2537829-A1 Aminobenzoylsulfamides and their preparation BASF SE (DE) 2012-12-26 EP disclosed
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2012-10-25 US disclosed
EP-1560810-B1 BIFUNCTIONAL PHENYLISO(THIO)CYANATES; METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION THEREOF BASF SE (DE) 2012-08-01 EP disclosed
US-8232421-B2 Bifunctional phenyl ISO (THIO) cyanates, processes and intermediates for their preparation BASF AKTIENGESELLSCHAFT (DE) 2012-07-31 US disclosed
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION BASF AKTIENGESELLSCHAFT (DE) 2011-01-13 US disclosed
US-7820846-B2 by phosgenation of an aminobenzoylsulfamic acid amide intermediate; prepared from a p-nitrobenzoyl chloride or benzoate and a sulfamic acid amide and reducing the nitrobenzoylsulfamic acid amide; isocyanates are crop protection agents BASF AKTIENGESELLSCHAFT (DE) 2010-10-26 US disclosed
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 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 (3 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-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION TST, IDO1, TMT1A SCN9A 3631/4885POLB 1336/4885APEX1 50/4885
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION TST, IDO1, IDO2 SCN9A 3759/4885POLB 1651/4885APEX1 79/4885
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation TST, TMT1A, IDO1 SCN9A 3755/4885POLB 1447/4885APEX1 38/4885

“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.