SCHEMBL3071492

SCHEMBL3071492

CN(C)c1nccc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 1/20 0.53
CES1 P23141 1/20 0.49
CYP19A1 P11511 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
SCN9A Q15858 3/20 0.46
ESR1 P03372 1/20 0.45
HTR6 P50406 1/20 0.45
KIT P10721 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
SCHEMBL3064389 0.85 CES1 (0.54) ALDH1A1TDP1CES1CYP19A1MEN1
SCHEMBL3065621 0.84 CES1 (0.55) ALDH1A1CES1CYP19A1MEN1KMT2A
SCHEMBL3059278 0.82 CES1 (0.50) ALDH1A1TDP1CES1CYP19A1MEN1
SCHEMBL3071236 0.81 CES1 (0.53) ALDH1A1CES1CYP19A1MEN1KMT2A
SCHEMBL3073531 0.81 CES1 (0.53) ALDH1A1CES1CYP19A1MEN1KMT2A
SCHEMBL3066046 0.81 CES1 (0.49) ALDH1A1TDP1CES1CYP19A1MEN1
SCHEMBL3065940 0.81 SCN9A (0.52) ALDH1A1CES1CYP19A1MEN1KMT2A
SCHEMBL3072067 0.79 SCN9A (0.53) ALDH1A1CES1CYP19A1MEN1KMT2A
SCHEMBL3065818 0.79 CES1 (0.49) ALDH1A1CES1CYP19A1MEN1KMT2A
SCHEMBL3060966 0.78 CES1 (0.48) ALDH1A1CES1CYP19A1MEN1KMT2A

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 11 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
CN-100356979-C Integrin expression inhibitors EISAI CO LTD (JP) 2007-12-26 CN 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
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN 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 ALDH1A1 1256/4885TDP1 4869/4885CES1 1931/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 ALDH1A1 1256/4885TDP1 4869/4885CES1 1931/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 ALDH1A1 1266/4885TDP1 4873/4885CES1 1336/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 ALDH1A1 1018/4885TDP1 4350/4885CES1 416/4885

“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.