SCHEMBL3072067

SCHEMBL3072067

CCOc1nccc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALOX15 P16050 1/20 0.50
CYP19A1 P11511 1/20 0.49
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
HTT P42858 1/20 0.47
CES1 P23141 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
HIF1A Q16665 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
F2 P00734 1/20 0.45

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 0.88 SCN9A (0.52) SCN9AMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL3066046 0.84 CES1 (0.49) SCN9AMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL3064389 0.83 CES1 (0.54) SCN9AMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL3065621 0.82 CES1 (0.55) SCN9AMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL3059278 0.80 CES1 (0.50) SCN9AMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL13763639 0.80 GRM4 (0.45) SCN9AMEN1KMT2AGAAMAPT
SCHEMBL3071236 0.80 CES1 (0.53) SCN9AMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL3073531 0.80 CES1 (0.53) SCN9AMEN1KMT2ACYP19A1ALDH1A1
SCHEMBL3060882 0.80 IKBKB (0.50) SCN9AALDH1A1GAAMAPTLMNA
SCHEMBL3071492 0.79 ALDH1A1 (0.53) SCN9AMEN1KMT2ACYP19A1ALDH1A1

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 243/4885MEN1 2665/4885KMT2A 2009/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 SCN9A 243/4885MEN1 2665/4885KMT2A 2009/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 SCN9A 276/4885MEN1 3218/4885KMT2A 2523/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 SCN9A 168/4885MEN1 3262/4885KMT2A 1187/4885

“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.