SCHEMBL1358798

SCHEMBL1358798

Cc1cc(=O)oc2cc(OS(=O)(=O)C(F)(F)F)ccc12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.72
ALDH1A1 P00352 9/20 0.72
GAA P10253 6/20 0.72
CA2 P00918 2/20 0.71
STS P08842 2/20 0.71
HSD17B10 Q99714 4/20 0.62
HPGD P15428 3/20 0.62
ALPL P05186 3/20 0.60
ALPI P09923 3/20 0.60
GLA P06280 5/20 0.57
CA1 P00915 1/20 0.56
CA5A P35218 1/20 0.56
CA9 Q16790 1/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
MAOA P21397 1/20 0.55
MAOB P27338 1/20 0.55
CASP3 P42574 1/20 0.55
SENP8 Q96LD8 1/20 0.55
SENP7 Q9BQF6 1/20 0.55

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
SCHEMBL1358175 0.89 STS (0.71) KDM4EALDH1A1GAACA2STS
SCHEMBL38662608 0.86 ALDH1A1 (0.76) KDM4EALDH1A1GAACA2STS
SCHEMBL10850187 0.84 KDM4E (1.00) KDM4EALDH1A1GAACA2STS
SCHEMBL30228363 0.84 ALDH1A1 (0.52) KDM4EALDH1A1GAACA2STS
SCHEMBL17179699 0.83 AGER (0.63) KDM4EALDH1A1GAAHSD17B10HPGD
SCHEMBL30139608 0.83 ALDH1A1 (0.76) KDM4EALDH1A1GAACA2STS
SCHEMBL25184 0.83 ALDH1A1 (0.76) KDM4EALDH1A1GAACA2STS
SCHEMBL9451464 0.83 STS (1.00) KDM4EALDH1A1GAACA2STS
Hydrogen Sulfide SCHEMBL6879015 0.83 KDM4E (0.55) KDM4EALDH1A1GAACA2STS
SCHEMBL3761326 0.82 ALDH1A1 (0.74) KDM4EALDH1A1GAACA2STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-10-03 US disclosed
EP-4367111-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2024-05-15 EP disclosed
CN-117999259-A Iron death modulators, their preparation and use 维泰瑞隆有限公司 2024-05-07 CN disclosed
US-20240052169-A1 Deuterated Fluorophores HOWARD HUGHES MEDICAL INSTITUTE (US) 2024-02-15 US disclosed
US-11787946-B2 Deuterated fluorophores HOWARD HUGHES MEDICAL INSTITUTE (US) 2023-10-17 US disclosed
CN-112010844-B Preparation method and application of N- (pyrimidine-2-yl) coumarin-7-amine derivative as protein kinase inhibitor 中国药科大学 2023-07-25 CN disclosed
WO-2023280296-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF Sironax Ltd. (KY) 2023-01-12 WO disclosed
US-20210347994-A1 DEUTERATED FLUOROPHORES HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-11-11 US disclosed
US-11091643-B2 Deuterated fluorophores HOWARD HUGHES MEDICAL INSTITUTE (US) 2021-08-17 US disclosed
EP-3801495-A1 DEUTERATED FLUOROPHORES Howard Hughes Medical Institute (US) 2021-04-14 EP disclosed
WO-2015156264-A1 NOVEL GLUCOSE DERIVATIVE, AND CELL IMAGING METHOD AND IMAGING AGENT USING SAID DERIVATIVE 国立大学法人弘前大学 2015-10-15 WO disclosed
US-8067619-B2 Coumarin derivatives as ion channel openers JANSSEN PHARMACEUTICA N.V. (BE) 2011-11-29 US disclosed
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JAIN NARESHKUMAR F 2010-03-18 US disclosed
US-7662975-B2 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA, NV (BE) 2010-02-16 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK, THE 2008-08-14 US disclosed
EP-1846386-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2007-10-24 EP disclosed
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity JANSSEN PHARMACEUTICA N.V. (BE) 2007-02-15 US disclosed
WO-2006078833-A2 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS JANSSEN PHARMACEUTICA N.V. (BE) 2006-07-27 WO 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 (8 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-20240052169-A1 Deuterated Fluorophores HDHD5, DRD4, ARF4 KDM4E 1330/4885ALDH1A1 836/4885GAA 1327/4885
US-20080194522-A1 Development of Fluorogenic Substrates For Monoamine Oxidases (Mao-A and Mao-B) MAOA, MAOB, COMT KDM4E 1183/4885ALDH1A1 181/4885GAA 67/4885
US-20210347994-A1 DEUTERATED FLUOROPHORES HDHD5, DRD4, ARF4 KDM4E 1330/4885ALDH1A1 836/4885GAA 1327/4885
US-20240327393-A1 FERROPTOSIS MODULATORS, PREPARATIONS, AND USES THEREOF AIFM2, GPX1, GPX4 KDM4E 3854/4885ALDH1A1 1306/4885GAA 861/4885
US-20100069474-A1 NOVEL COUMARIN DERIVATIVES AS ION CHANNEL OPENERS KCNJ2, KCNN3, KCNN2 KDM4E 3289/4885ALDH1A1 1678/4885GAA 2313/4885
US-20070037877-A1 trifluoro-methanesulfonic acid 3-(2,4-dimethoxy-phenyl)-4-(2-methoxy-ethyl)-2-oxo-2H-chromen-7-yl ester as potassium channel modulators; urinary incontinence, overactive bladder, hypertension, erectile dysfunction, female sexual disorders, dysmenorrhea, irritable bowl syndrome, airway hyperactivity KCNN2, KCNH3, KCNN1 KDM4E 756/4885ALDH1A1 1703/4885GAA 3285/4885
US-11091643-B2 Deuterated fluorophores HDHD5, DRD4, ARF4 KDM4E 1330/4885ALDH1A1 836/4885GAA 1327/4885
US-11787946-B2 Deuterated fluorophores HDHD5, DRD4, ARF4 KDM4E 1330/4885ALDH1A1 836/4885GAA 1327/4885

“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.