SCHEMBL3068871

SCHEMBL3068871

COc1nccc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 6/20 0.51
BRPF1 P55201 4/20 0.50
BRD4 O60885 2/20 0.50
BRD1 O95696 2/20 0.50
BRD9 Q9H8M2 2/20 0.50
BRPF3 Q9ULD4 2/20 0.50
IKBKB O14920 1/20 0.49
JAK2 O60674 1/20 0.49
ATIC P31939 2/20 0.48
BRD7 Q9NPI1 1/20 0.48
PIK3CA P42336 2/20 0.48
MTOR P42345 2/20 0.48
SMARCA2 P51531 1/20 0.47
KDM1A O60341 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL3071805 0.88 SCN9A (0.57) SCN9ABRPF1BRD4BRD1IKBKB
SCHEMBL3062102 0.86 ALDH1A1 (0.56) SCN9AIKBKBJAK2MEN1ALDH1A1
SCHEMBL3072040 0.85 LMNA (0.54) SCN9AIKBKBJAK2MEN1ALDH1A1
SCHEMBL3065940 0.85 SCN9A (0.52) SCN9AIKBKBJAK2MEN1ALDH1A1
SCHEMBL3060882 0.83 IKBKB (0.50) SCN9AIKBKBJAK2ALDH1A1LMNA
SCHEMBL3060973 0.83 ATIC (0.51) SCN9ABRPF1BRD4BRD1BRD9
SCHEMBL3072126 0.82 GAA (0.65) IKBKBJAK2MEN1ALDH1A1LMNA
SCHEMBL3060711 0.81 IKBKB (0.53) SCN9ABRD4IKBKBJAK2ATIC
SCHEMBL3050929 0.80 IKBKB (0.47) SCN9AIKBKBJAK2MEN1KMT2A
SCHEMBL3072044 0.80 SCN9A (0.50) SCN9AIKBKBJAK2ALDH1A1LMNA

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 9 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
EP-1243583-B1 HETEROCYCLIC COMPOUNDS HAVING SULFONAMIDE GROUPS EISAI CO LTD (JP) 2005-09-28 EP 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 243/4885BRPF1 876/4885BRD4 103/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 SCN9A 243/4885BRPF1 876/4885BRD4 103/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 SCN9A 276/4885BRPF1 1552/4885BRD4 119/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 SCN9A 168/4885BRPF1 4477/4885BRD4 624/4885

“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.