SCHEMBL7985552

SCHEMBL7985552

CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.69
PKM P14618 1/20 0.69
STS P08842 1/20 0.58
TGFBR1 P36897 2/20 0.56
GPR119 Q8TDV5 2/20 0.55
KEAP1 Q14145 1/20 0.55
NFE2L2 Q16236 1/20 0.55
CXCR4 P61073 1/20 0.54
LMNA P02545 1/20 0.54
YAP1 P46937 2/20 0.54
HTR6 P50406 1/20 0.53
GAA P10253 1/20 0.53
THRB P10828 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ACHE P22303 1/20 0.52
KDM1A O60341 1/20 0.52
BRD4 O60885 1/20 0.52

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
SCHEMBL8350723 0.93 KDM4E (0.64) KDM4EPKMSTSTGFBR1GPR119
SCHEMBL785861 0.90 KDM4E (0.60) KDM4EPKMSTSTGFBR1GPR119
SCHEMBL1852189 0.89 KDM4E (0.59) KDM4EPKMSTSTGFBR1GPR119
SCHEMBL18129120 0.88 KDM4E (0.57) KDM4EPKMSTSTGFBR1GPR119
SCHEMBL3979358 0.88 KDM4E (0.57) KDM4EPKMSTSTGFBR1GPR119
SCHEMBL8651537 0.87 NAMPT (0.61) KDM4EPKMSTSGPR119KEAP1
SCHEMBL5266529 0.87 KDM4E (0.61) KDM4EPKMSTSGPR119KEAP1
SCHEMBL8702720 0.86 NAMPT (0.61) KDM4EPKMSTSGPR119KEAP1
SCHEMBL856875 0.85 KDM4E (0.51) KDM4EPKMSTSGPR119KEAP1
Hydrochloric Acid SCHEMBL1856109 0.85 TGFBR1 (0.57) KDM4EPKMSTSTGFBR1GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10913710-B2 Benzene disulfonamide for the treatment of cancer MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V (DE) 2021-02-09 US disclosed
US-10913710-B2 Benzene disulfonamide for the treatment of cancer MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN E.V (DE) 2021-02-09 US disclosed
EP-3568391-B1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER MAX PLANCK GESELLSCHAFT (DE) 2020-11-11 EP disclosed
EP-3568391-B1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER MAX PLANCK GESELLSCHAFT (DE) 2020-11-11 EP disclosed
EP-3568391-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2019-11-20 EP disclosed
EP-3351544-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-25 EP disclosed
EP-3351544-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-25 EP disclosed
WO-2018130625-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-19 WO disclosed
WO-2018130625-A1 BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2018-07-19 WO disclosed
US-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0915888-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS Takeda Chemical Industries, Ltd. (JP) 1999-05-19 EP disclosed
US-5849732-A Phenol compound having antioxidative activity and the process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-12-15 US disclosed
WO-1997040051-A1 FUSED IMIDAZOPYRIDINE DERIVATIVES AS ANTIHYPERLIPIDEMIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-10-30 WO disclosed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 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 (1 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-10913710-B2 Benzene disulfonamide for the treatment of cancer DUSP6, DUSP26, RASSF2 KDM4E 3162/4885PKM 3357/4885STS 146/4885

“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.