SCHEMBL213000

SCHEMBL213000

COC(=O)c1ccc(COS(C)(=O)=O)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
HSD17B10 Q99714 2/20 0.44
CYP2C9 P11712 5/20 0.43
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
HPGD P15428 3/20 0.43
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
XDH P47989 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.42
VCAM1 P19320 1/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 2/20 0.41

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
SCHEMBL18095213 0.87 KDM4E (0.39) KDM4ESMN1; SMN2HSD17B10CYP2C9ALDH1A1
SCHEMBL20798434 0.83 CA1 (0.49) KDM4ESMN1; SMN2HSD17B10CYP2C9ALDH1A1
SCHEMBL31385433 0.81 MAPT (0.50) KDM4ESMN1; SMN2HSD17B10CYP2C9ALDH1A1
SCHEMBL31385413 0.81 RORC (0.44) KDM4ESMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL31356459 0.81 NOTUM (0.44) KDM4ESMN1; SMN2HSD17B10CYP2C9ALDH1A1
SCHEMBL25721981 0.79 TDP1 (0.52) KDM4ESMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL14175211 0.79 TDP1 (0.52) KDM4ESMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL2967855 0.79 CA12 (0.45) KDM4ESMN1; SMN2HSD17B10CYP2C9ALDH1A1
SCHEMBL2968528 0.78 ALDH1A1 (0.53) KDM4ESMN1; SMN2HSD17B10ALDH1A1MAPT
SCHEMBL4576366 0.78 CYP2C9 (0.41) KDM4ESMN1; SMN2HSD17B10CYP2C9ALDH1A1

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3013797-B1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE LTD (KY) 2018-01-03 EP disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 US disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 US disclosed
US-9670231-B2 Fused tricyclic amide compounds as multiple kinase inhibitors BEIGENE, LTD. (KY) 2017-06-06 US disclosed
US-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (KY) 2016-06-09 US disclosed
EP-3013797-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BeiGene, Ltd. (KY) 2016-05-04 EP disclosed
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed
WO-2014206344-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BEIGENE, LTD. (GB) 2014-12-31 WO disclosed
US-8088802-B2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. (JP) 2012-01-03 US disclosed
EP-1612208-B1 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO (JP) 2011-08-31 EP disclosed
US-7629369-B2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICALS CO., LTD. (JP) 2009-12-08 US disclosed
US-7335776-B2 Remedies for depression containing EP1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-02-26 US disclosed
US-7235667-B2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. (JP) 2007-06-26 US disclosed
EP-1369419-B1 N-PHENYLARYLSULFONAMIDE COMPOUND, DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT, INTERMEDIATE FOR THE COMPOUND, AND PROCESSES FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO (JP) 2007-05-23 EP disclosed
US-20060030713-A1 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. 2006-02-09 US disclosed
EP-1612208-A2 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation ONO PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
US-20050124672-A1 N-phenylarylsulfonamide compound drug containing the compound as active ingredient intermediate for the compound and processes for producing the same ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-09 US disclosed
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1369419-A1 N-PHENYLARYLSULFONAMIDE COMPOUND, DRUG CONTAINING THE COMPOUND AS ACTIVE INGREDIENT, INTERMEDIATE FOR THE COMPOUND, AND PROCESSES FOR PRODUCING THE SAME ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 EP disclosed
EP-1369129-A1 REMEDIES FOR DEPRESSION CONTAINING EP1 ANTAGONIST AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2003-12-10 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-20060030713-A1 N-phenylarylsulfonamide compound, pharmaceutical composition comprising the compound as active ingredient, synthetic intermediate for the compound and process for its preparation PTGER1, PTGER2, PTGES KDM4E 2131/4885SMN1; SMN2 2389/4885HSD17B10 3424/4885
US-20160159820-A1 FUSED TRICYCLIC AMIDE COMPOUNDS AS MULTIPLE KINASE INHIBITORS BRAF, EGFR, ERBB2 KDM4E 1679/4885SMN1; SMN2 4663/4885HSD17B10 3079/4885
US-20050124672-A1 N-phenylarylsulfonamide compound drug containing the compound as active ingredient intermediate for the compound and processes for producing the same PTGER1, PTGER2, PTGES KDM4E 2106/4885SMN1; SMN2 2475/4885HSD17B10 3067/4885
US-20040082653-A1 Remedies for depression containing ep1 antagonist as the active ingredient PTGER1, PTGER2, PTGS1 KDM4E 4138/4885SMN1; SMN2 3875/4885HSD17B10 2324/4885

“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.