SCHEMBL2226280

SCHEMBL2226280

COc1ccccc1NC(=O)C(F)(F)F

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.72
PDK2 Q15119 1/20 0.72
PDK3 Q15120 1/20 0.72
PDK4 Q16654 1/20 0.72
MLYCD O95822 1/20 0.64
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
ALOX12 P18054 1/20 0.57
GLA P06280 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
KMT2A Q03164 5/20 0.55
MEN1 O00255 3/20 0.55
POLB P06746 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MAPT P10636 2/20 0.54
HTT P42858 2/20 0.54

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
SCHEMBL1030263 0.86 LMNA (0.74) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL12368149 0.84 MAPT (0.60) PDK1PDK2PDK3PDK4MLYCD
SCHEMBL23885131 0.84 PDK1 (0.54) PDK1PDK2PDK3PDK4MLYCD
SCHEMBL12804315 0.84 PDK1 (0.54) PDK1PDK2PDK3PDK4MLYCD
SCHEMBL30254525 0.84 PDK1 (0.54) PDK1PDK2PDK3PDK4MLYCD
SCHEMBL6350417 0.84 PDK1 (1.00) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL27708750 0.84 PDK1 (0.53) PDK1PDK2PDK3PDK4MLYCD
SCHEMBL6348512 0.83 PDK1 (0.72) PDK1PDK2PDK3PDK4KDM4E
SCHEMBL8084614 0.83 GAA (0.57) PDK1PDK2PDK3PDK4MLYCD
SCHEMBL12153170 0.82 GAA (0.65) KDM4ELMNAL3MBTL1ALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2521714-B1 Aromatic sulfone compounds useful in the treatment of central nervous disorders SUVEN LIFE SCIENCES LTD (IN) 2015-08-12 EP disclosed
US-9018231-B2 Sulfone compounds as 5-HT6 receptor ligands SUVEN LIFE SCIENCES LIMITED (IN) 2015-04-28 US disclosed
US-20130005709-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2013-01-03 US disclosed
EP-2521714-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS Suven Life Sciences Limited (IN) 2012-11-14 EP disclosed
WO-2011083487-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2011-07-14 WO disclosed
US-7462628-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-12-09 US disclosed
US-7282609-B2 Process for production of 1-aryl-5-(trifluoromethyl)-1H-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-10-16 US disclosed
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TOYO KASEI KOGYO COMPANY LIMITED (JP) 2007-05-10 US disclosed
US-7138533-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-21 US disclosed
US-7132547-B2 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-11-07 US disclosed
US-20060211675-A1 Preventives/remedies for urinary disturbance ISHIHARA YUJI 2006-09-21 US disclosed
EP-1671945-A1 PROCESS FOR PRODUCTION OF 1-ARYL-5-(TRIFLUOROMETHYL)-1H- TETRAZOLES Toyo Kasei Kogyo Company Limited (JP) 2006-06-21 EP disclosed
US-20060063769-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-03-23 US disclosed
US-20050197362-A1 Preventives/remedies for urinary disturbance TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-09-08 US disclosed
EP-1466625-A1 PREVENTIVES/REMEDIES FOR URINARY DISTURBANCE Takeda Chemical Industries, Ltd. (JP) 2004-10-13 EP disclosed
WO-1991013907-A1 DERIVATIVES OF N-PHENYL GLYCINAMIDE, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM RHONE-POULENC RORER S.A. (FR) 1991-09-19 WO disclosed
US-4395559-A ADRENERGIC BLOCKING AND HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1983-07-26 US disclosed
EP-0030380-A1 2,3-Indoledione derivatives, process for their preparation, intermediates, pharmaceutical compositions containing these 2,3-indoledione derivatives and their pharmaceutical use F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-06-17 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 (5 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-20060063769-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDK1 3770/4885PDK2 3100/4885PDK3 3333/4885
US-20050197362-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, CHRM1 PDK1 3770/4885PDK2 3100/4885PDK3 3333/4885
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TH, NAT1, PAH PDK1 3510/4885PDK2 1327/4885PDK3 2948/4885
US-20060211675-A1 Preventives/remedies for urinary disturbance ACHE, BPHL, ACE PDK1 4405/4885PDK2 3305/4885PDK3 3652/4885
US-20130005709-A1 SULFONE COMPOUNDS AS 5-HT6 RECEPTOR LIGANDS HTR6, HTR5A, HTR1A PDK1 4191/4885PDK2 3506/4885PDK3 3761/4885

“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.