SCHEMBL288931

SCHEMBL288931

Cc1cc(S(N)(=O)=O)c(C)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
NR2F2 P24468 1/20 0.45
NOD2 Q9HC29 1/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.44
TSHR P16473 3/20 0.44
PDIA6 Q15084 1/20 0.42
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
CA4 P22748 3/20 0.41
CA6 P23280 3/20 0.41
CYP2C9 P11712 1/20 0.41
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
CA3 P07451 3/20 0.41
CA7 P43166 2/20 0.41
CA13 Q8N1Q1 2/20 0.41

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
SCHEMBL20182618 0.91 POLB (0.53) NPC1NR2F2NOD2KDM4EALDH1A1
SCHEMBL16936497 0.84 TSHR (0.55) KDM4EALDH1A1LMNATSHRPDIA6
SCHEMBL9682143 0.84 RAPGEF4 (0.47) NPC1NR2F2NOD2KDM4EALDH1A1
SCHEMBL28827972 0.83 ALDH1A1 (0.50) KDM4EALDH1A1POLBL3MBTL1LMNA
SCHEMBL5624156 0.83 CA1 (0.48) NPC1NR2F2NOD2KDM4EALDH1A1
SCHEMBL25257871 0.82 L3MBTL1 (0.45) NPC1NR2F2NOD2ALDH1A1POLB
SCHEMBL11876121 0.82 ALDH1A1 (0.50) KDM4EALDH1A1L3MBTL1LMNATSHR
SCHEMBL2773813 0.81 KDM4E (0.41) NPC1NR2F2NOD2KDM4EALDH1A1
SCHEMBL11511279 0.80 KDM4E (0.52) KDM4EALDH1A1L3MBTL1LMNAPDIA6
SCHEMBL14902121 0.80 NPC1 (0.44) NPC1NR2F2NOD2POLBL3MBTL1

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
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-8735588-B2 Nematocidal sulfonamides E I DU PONT DE NEMOURS AND COMPANY (US) 2014-05-27 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
CN-102413693-A Nematocidal sulfonamides DU PONT 2012-04-11 CN disclosed
EP-2427058-A2 NEMATOCIDAL SULFONAMIDES E. I. du Pont de Nemours and Company (US) 2012-03-14 EP disclosed
WO-2010129500-A2 NEMATOCIDAL SULFONAMIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-11-11 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 (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 1818/4885NR2F2 3819/4885NOD2 2464/4885
US-20120114624-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 NPC1 1818/4885NR2F2 3819/4885NOD2 2464/4885
US-20140088309-A1 NEMATOCIDAL SULFONAMIDES NSFL1C, QSOX1, Q6ZSR9 NPC1 1818/4885NR2F2 3819/4885NOD2 2464/4885

“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.