SCHEMBL2680796

SCHEMBL2680796

Cc1ccc(Br)c(S(=O)(=O)NC(=O)c2cn3cc(C(F)(F)F)cc(Cl)c3n2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.39
NFKB1 P19838 5/20 0.39
RAB9A P51151 5/20 0.39
NFKB2 Q00653 5/20 0.39
RELA Q04206 5/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
MAPT P10636 2/20 0.39
LMNA P02545 5/20 0.39
CYP1A2 P05177 2/20 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 3/20 0.38
TDP1 Q9NUW8 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.36
ALKBH2 Q6NS38 3/20 0.36
ALKBH3 Q96Q83 3/20 0.36
FTO Q9C0B1 3/20 0.36

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
SCHEMBL2680314 0.92 ALDH1A1 (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2680349 0.81 NPC1 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2680256 0.80 SMN1; SMN2 (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2681457 0.80 NPC1 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2680211 0.80 NPC1 (0.36) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL10204206 0.80 NFKB1 (0.40) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2681429 0.80 SMN1; SMN2 (0.52) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL2680302 0.80 NPC1 (0.39) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL29361783 0.80 SMN1; SMN2 (0.52) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL10204203 0.79 NPC1 (0.52) NPC1NFKB1RAB9ANFKB2RELA

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 NPC1 1818/4885NFKB1 1493/4885RAB9A 1511/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 NPC1 1818/4885NFKB1 1493/4885RAB9A 1511/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 NPC1 1818/4885NFKB1 1493/4885RAB9A 1511/4885

“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.