SCHEMBL3060588

SCHEMBL3060588

O=S(=O)(Nc1cccc2cc[nH]c12)c1ccc(Cl)nc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.57
NR3C1 P04150 1/20 0.53
PGR P06401 1/20 0.53
NR3C2 P08235 1/20 0.53
AR P10275 1/20 0.53
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
CCR2 P41597 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
AHR P35869 1/20 0.45
SLC40A1 Q9NP59 5/20 0.45
PIK3CD O00329 1/20 0.43
PIK3R1 P27986 1/20 0.43
PIK3CA P42336 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43

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
SCHEMBL2367735 0.83 NR3C1 (0.60) GAANR3C1PGRNR3C2AR
SCHEMBL1207409 0.80 SLC40A1 (0.62) NR3C1PGRNR3C2ARKMT2A
SCHEMBL3055994 0.79 CA1 (0.70) GAANR3C1PGRNR3C2AR
SCHEMBL2367383 0.78 NR3C1 (0.65) NR3C1PGRNR3C2ARLMNA
SCHEMBL3066019 0.78 SLC40A1 (0.57) NR3C1PGRNR3C2ARSLC40A1
SCHEMBL1984869 0.78 CA1 (0.60) NR3C1PGRNR3C2ARMEN1
SCHEMBL2367682 0.78 NR3C1 (0.64) NR3C1PGRNR3C2ARLMNA
SCHEMBL27214265 0.77 SLC40A1 (0.74) LMNAALDH1A1MEN1KMT2ASLC40A1
SCHEMBL30925424 0.77 SLC40A1 (0.74) LMNAALDH1A1MEN1KMT2ASLC40A1
SCHEMBL3060478 0.75 CA1 (0.51) GAALMNAMAPK1CCR2ALDH1A1

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
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US 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
US-5767283-A CHEMICAL INTERMEDIATE FOR 7-N-ORGANOSULFONYL-1H-INDOLE DERIVATIVE ANTITUMOR AGENTS; NONTOXIC EISAI CO., LTD. (JP) 1998-06-16 US disclosed
US-5721246-A ANTITUMOR AGENTS; LOW TOXICITY EISAI CO., LTD. (JP) 1998-02-24 US 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 GAA 4822/4885NR3C1 570/4885PGR 1305/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 GAA 4822/4885NR3C1 570/4885PGR 1305/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 GAA 4676/4885NR3C1 614/4885PGR 1278/4885

“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.