SCHEMBL3072044

SCHEMBL3072044

COc1nccc2cc(NS(=O)(=O)c3ccc(Cl)nc3)ccc12

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 16/20 0.50
ALDH1A1 P00352 1/20 0.50
IKBKB O14920 1/20 0.49
JAK2 O60674 1/20 0.49
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL3065940 0.87 SCN9A (0.52) SCN9AALDH1A1IKBKBJAK2LMNA
SCHEMBL3050929 0.87 IKBKB (0.47) SCN9AIKBKBJAK2
SCHEMBL3062102 0.84 ALDH1A1 (0.56) SCN9AALDH1A1IKBKBJAK2KDM4E
SCHEMBL3062422 0.83 KEAP1 (0.57) SCN9AIKBKBJAK2
SCHEMBL3060882 0.83 IKBKB (0.50) SCN9AALDH1A1IKBKBJAK2LMNA
SCHEMBL3072040 0.83 LMNA (0.54) SCN9AALDH1A1IKBKBJAK2LMNA
SCHEMBL3068871 0.80 SCN9A (0.51) SCN9AALDH1A1IKBKBJAK2LMNA
SCHEMBL3072126 0.80 GAA (0.65) ALDH1A1IKBKBJAK2KDM4ELMNA
SCHEMBL3060711 0.79 IKBKB (0.53) SCN9AALDH1A1IKBKBJAK2LMNA
SCHEMBL3070368 0.79 MEN1 (0.56) SCN9AALDH1A1IKBKBJAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-6787534-B2 SUBSTITUTED QUINOLINE AND ISOQUINOLINE ANTIANGIOGENIC AGENTS; SULFONYLUREAS EISAI CO., LTD. (JP) 2004-09-07 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2003-07-31 US disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP disclosed
EP-1243583-A1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS Eisai Co., Ltd. (JP) 2002-09-25 EP 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 SCN9A 243/4885ALDH1A1 1256/4885IKBKB 474/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 SCN9A 243/4885ALDH1A1 1256/4885IKBKB 474/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 SCN9A 276/4885ALDH1A1 1266/4885IKBKB 473/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 SCN9A 168/4885ALDH1A1 1018/4885IKBKB 1331/4885

“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.