SCHEMBL2680256

SCHEMBL2680256

CC(=O)c1ccc(Cl)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.40
NPC1 O15118 4/20 0.40
NFKB1 P19838 4/20 0.40
RAB9A P51151 4/20 0.40
NFKB2 Q00653 4/20 0.40
RELA Q04206 4/20 0.40
MAPT P10636 4/20 0.40
PTPN1 P18031 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RECQL P46063 1/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ERAP1 Q9NZ08 1/20 0.37

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
SCHEMBL2680349 0.93 NPC1 (0.39) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2680314 0.89 ALDH1A1 (0.41) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2680302 0.86 NPC1 (0.39) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2681429 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL29361783 0.86 SMN1; SMN2 (0.52) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL16403402 0.85 NPC1 (0.40) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL16402989 0.85 NPC1 (0.40) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL15939865 0.82 SMN1; SMN2 (0.48) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL16403069 0.81 NPC1 (0.36) SMN1; SMN2NPC1NFKB1RAB9ANFKB2
SCHEMBL2681457 0.81 NPC1 (0.39) SMN1; SMN2NPC1NFKB1RAB9ANFKB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427058-B1 NEMATOCIDAL SULFONAMIDES DU PONT (US) 2014-12-31 EP claimed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US claimed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US claimed
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 US claimed
US-9018228-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2015-04-28 US disclosed
EP-2427058-B1 NEMATOCIDAL SULFONAMIDES DU PONT (US) 2014-12-31 EP disclosed
US-20140221203-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-08-07 US disclosed
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES E I DU PONT DE NEMOURS AND COMPANY (US) 2014-03-27 US disclosed
US-8623890-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-01-07 US disclosed
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-05-10 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-20140221203-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 SMN1; SMN2 902/4885NPC1 1818/4885NFKB1 1493/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 SMN1; SMN2 902/4885NPC1 1818/4885NFKB1 1493/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 SMN1; SMN2 902/4885NPC1 1818/4885NFKB1 1493/4885

“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.