SCHEMBL973560

SCHEMBL973560

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

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 14/20 0.34
HTT P42858 2/20 0.32
RECQL P46063 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
CYP2C19 P33261 2/20 0.31
MEN1 O00255 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL977040 0.92 SCN9A (0.34) SCN9AHTTRECQLPOLBAPEX1
SCHEMBL974812 0.82 SCN9A (0.36) SCN9AHTTRECQLPOLBAPEX1
SCHEMBL975289 0.79 VCAM1 (0.40) SCN9AHTTPOLBAPEX1CYP2C19
SCHEMBL973561 0.79 HTT (0.31) HTTRECQL
SCHEMBL3540540 0.75 POLB (0.34) SCN9APOLBAPEX1CYP2C19
SCHEMBL974515 0.70 SCN9A (0.43) SCN9APOLBAPEX1CYP2C19
SCHEMBL9051631 0.67 GAA (0.40) HTTPOLBAPEX1CYP2C19MEN1
SCHEMBL9492204 0.66 KEAP1 (0.38) POLBAPEX1MEN1KMT2ASMN1; SMN2
SCHEMBL3540542 0.65 LMNA (0.31) POLBAPEX1SMN1; SMN2
SCHEMBL9419230 0.65 POLB (0.33) POLBAPEX1SMN1; SMN2

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-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-7737275-B2 Method for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils BASF AKTIENGESELLSCHAFT (DE) 2010-06-15 US disclosed
EP-1692115-B1 METHOD FOR PRODUCING 3-PHENYL(THIO)URACILS AND 3-PHENYLDITHIOURACILS BASF AG (DE) 2007-12-19 EP disclosed
US-20060293520-A1 Mehtod for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils BASF AKTIENGESELLSCHAFT (DE) 2006-12-28 US disclosed
EP-1692115-A1 METHOD FOR PRODUCING 3-PHENYL(THIO)URACILS AND 3-PHENYLDITHIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2006-08-23 EP disclosed
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation BASF AKTIENGESELLSCHAFT (DE) 2006-01-05 US disclosed
WO-2005054208-A1 METHOD FOR PRODUCING 3-PHENYL(THIO)URACILS AND 3-PHENYLDITHIOURACILS BASF AKTIENGESELLSCHAFT (DE) 2005-06-16 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 (4 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-20060293520-A1 Mehtod for producing 3-phenyl(thio)uracils and 3-phenyldithiouracils HPRT1, TH, METTL3 SCN9A 2711/4885HTT 625/4885RECQL 1642/4885
US-20120271049-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES PRODUCTS FOR THEIR PREPARATION TST, IDO1, TMT1A SCN9A 3631/4885HTT 110/4885RECQL 2201/4885
US-20110009640-A1 BIFUNCTIONAL PHENYL ISO (THIO) CYANATES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION TST, IDO1, IDO2 SCN9A 3759/4885HTT 134/4885RECQL 2294/4885
US-20060004220-A1 Bifunctional phenyliso(thio)cyanates, processes and intermediates products for their Preparation TST, TMT1A, IDO1 SCN9A 3755/4885HTT 129/4885RECQL 2302/4885

“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.