SCHEMBL3063245

SCHEMBL3063245

COc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
PKM P14618 1/20 0.51
CYP2C19 P33261 1/20 0.51
KMT2A Q03164 2/20 0.51
PGR P06401 2/20 0.50
TP53 P04637 1/20 0.50
NPC1 O15118 1/20 0.49
PTGES2 Q9H7Z7 1/20 0.48
NPSR1 Q6W5P4 2/20 0.48
NR3C1 P04150 1/20 0.48
NR3C2 P08235 1/20 0.48
AR P10275 1/20 0.48
MEN1 O00255 1/20 0.48
ALOX12 P18054 1/20 0.48
KEAP1 Q14145 2/20 0.48
NFE2L2 Q16236 2/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL5246731 0.81 ALDH1A1 (0.50) ALDH1A1TSHRCYP1A2CYP3A4PKM
SCHEMBL3066019 0.77 SLC40A1 (0.57) PKMPGRPTGES2NR3C1NR3C2
SCHEMBL3067241 0.73 CA1 (0.70) PKMPGRPTGES2NR3C1NR3C2
SCHEMBL2055428 0.72 KEAP1 (0.67) ALDH1A1TSHRPKMKMT2ATP53
SCHEMBL19582072 0.71 PGR (0.53) ALDH1A1TSHRCYP1A2CYP3A4PKM
SCHEMBL19582071 0.71 PGR (0.53) ALDH1A1TSHRCYP1A2CYP3A4PKM
SCHEMBL3062010 0.70 PGR (0.50) ALDH1A1KMT2APGRNPSR1NR3C1
SCHEMBL8752483 0.70 ERBB2 (0.62) ALDH1A1TSHRKMT2ATP53NPC1
SCHEMBL3064612 0.70 CA12 (0.52) ALDH1A1KMT2APGRNR3C1NR3C2
SCHEMBL19581873 0.70 ALDH1A1 (0.55) ALDH1A1TSHRCYP1A2CYP3A4PKM

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
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
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 ALDH1A1 1256/4885TSHR 611/4885CYP1A2 3959/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 ALDH1A1 1256/4885TSHR 611/4885CYP1A2 3959/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 ALDH1A1 1266/4885TSHR 1312/4885CYP1A2 4021/4885

“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.