SCHEMBL3073531

SCHEMBL3073531

O=S(=O)(Nc1ccc2c(O)nccc2c1)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.53
CYP19A1 P11511 1/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
HSP90AA1 P07900 1/20 0.49
HSP90AB1 P08238 1/20 0.49
GAA P10253 1/20 0.49
SCN9A Q15858 1/20 0.48
ESR1 P03372 1/20 0.48
KDM4E B2RXH2 1/20 0.47
TSHR P16473 1/20 0.47
ATIC P31939 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
SCHEMBL3065621 0.87 CES1 (0.55) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3064389 0.86 CES1 (0.54) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3071236 0.85 CES1 (0.53) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3060966 0.83 CES1 (0.48) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3059278 0.82 CES1 (0.50) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3071492 0.81 ALDH1A1 (0.53) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3065818 0.81 CES1 (0.49) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3065940 0.81 SCN9A (0.52) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3066046 0.81 CES1 (0.49) CES1CYP19A1ALDH1A1MEN1KMT2A
SCHEMBL3072067 0.80 SCN9A (0.53) CES1CYP19A1ALDH1A1MEN1KMT2A

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 13 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
CN-1217936-C Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2005-09-07 CN 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-1414952-A Heterocyclic compounds having sulfonic acid EISAI CO LTD (JP) 2003-04-30 CN 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 CES1 1931/4885CYP19A1 4342/4885ALDH1A1 1256/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 CES1 1931/4885CYP19A1 4342/4885ALDH1A1 1256/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 CES1 1336/4885CYP19A1 4307/4885ALDH1A1 1266/4885
US-20030144507-A1 Sulfonamide-containing heterocyclic compounds SLC5A2, SLC5A1, CBR3 CES1 416/4885CYP19A1 2200/4885ALDH1A1 1018/4885

“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.