SCHEMBL3055161

SCHEMBL3055161

Nc1ccc(S(=O)(=O)Nc2cccc3c(Cl)c[nH]c23)cn1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.70
CA2 P00918 3/20 0.70
CA12 O43570 2/20 0.70
CA9 Q16790 2/20 0.70
CA3 P07451 1/20 0.70
CA6 P23280 1/20 0.70
CA5A P35218 1/20 0.70
CA7 P43166 1/20 0.70
CRBN Q96SW2 1/20 0.70
CA14 Q9ULX7 1/20 0.70
CA5B Q9Y2D0 1/20 0.70
IMPDH2 P12268 1/20 0.45
PIK3CD O00329 5/20 0.43
PIK3CG P48736 4/20 0.43
GAA P10253 1/20 0.43
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
EPHB4 P54760 1/20 0.41
HTR6 P50406 1/20 0.39
SLC40A1 Q9NP59 1/20 0.39

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
SCHEMBL3070387 0.88 CA1 (0.67) CA1CA2CA12CA9CA3
SCHEMBL3055994 0.88 CA1 (0.70) CA1CA2CA12CA9CA3
SCHEMBL3066997 0.86 CA1 (0.67) CA1CA2CA12CA9CA3
SCHEMBL3062409 0.84 CA1 (0.83) CA1CA2CA12CA9CA3
SCHEMBL3060788 0.83 CRBN (0.48) CA1CA2CA12CA9CA3
SCHEMBL2767577 0.83 CA1 (0.48) CA1CA2CA12CA9CA3
SCHEMBL7011110 0.83 CA1 (0.72) CA1CA2CA12CA9CA3
Indisulam SCHEMBL29799438 0.83 CA1 (1.00) CA1CA2CA12CA9CA3
Indisulam SCHEMBL91389 0.83 CA1 (1.00) CA1CA2CA12CA9CA3
SCHEMBL1389216 0.82 CA12 (0.46) CA1CA2CA12CA9CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 EP claimed
CN-1079097-C Heterobicyclic sulfonamide derivatives and sulfonate derivatives EISAI CO LTD (JP) 2002-02-13 CN claimed
CN-1114506-A Heterobicyclic sulfonamide derivatives and sulfonate derivatives EISAI CO LTD (JP) 1996-01-03 CN claimed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 EP claimed
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
CN-1221533-C Heterobicyclic sulfonamide derivative and sulfonic ester derivative EISAI CO LTD (JP) 2005-10-05 CN disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
CN-1491941-A Heterobicyclic sulfonamide derivative and sulfonic ester derivative ������������ʽ���� 2004-04-28 CN disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
EP-0673937-B1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES EISAI CO LTD (JP) 2003-11-26 EP 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
CN-1079097-C Heterobicyclic sulfonamide derivatives and sulfonate derivatives EISAI CO LTD (JP) 2002-02-13 CN disclosed
CN-1114506-A Heterobicyclic sulfonamide derivatives and sulfonate derivatives EISAI CO LTD (JP) 1996-01-03 CN disclosed
EP-0673937-A1 BICYCLIC HETEROCYCLIC SULFONAMIDE AND SULFONIC ESTER DERIVATIVES Eisai Co., Ltd. (JP) 1995-09-27 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 (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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 CA1 867/4885CA2 821/4885CA12 513/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 CA1 867/4885CA2 821/4885CA12 513/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 CA1 827/4885CA2 631/4885CA12 535/4885

“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.