SCHEMBL4572080

SCHEMBL4572080

COc1cccc(NC(=O)C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.74
PDK2 Q15119 1/20 0.74
PDK3 Q15120 1/20 0.74
PDK4 Q16654 1/20 0.74
RAB9A P51151 8/20 0.64
NPC1 O15118 7/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TP53 P04637 2/20 0.60
TSHR P16473 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.60
MAPT P10636 2/20 0.60
ALDH1A1 P00352 2/20 0.59
NLRP3 Q96P20 1/20 0.59
PKM P14618 1/20 0.59
KMT2A Q03164 1/20 0.59
LMNA P02545 1/20 0.57

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
SCHEMBL14571973 0.85 PDK1 (0.67) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL12480670 0.85 L3MBTL1 (0.61) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL306383 0.85 PDK1 (0.71) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL27760702 0.84 PDK1 (0.74) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL2888920 0.83 CASR (0.61) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL28048892 0.83 HTT (0.59) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL144943 0.83 CYP1A2 (0.58) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL5112533 0.83 L3MBTL1 (0.58) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL8285861 0.83 PDK1 (0.68) PDK1PDK2PDK3PDK4RAB9A
SCHEMBL20981664 0.82 L3MBTL1 (0.82) PDK1PDK2PDK3PDK4RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102206172-B Substituted diaryl compound and preparation method and antiviral application thereof INST MED BIOTECHNOLOGY CAMS 2015-02-25 CN claimed
CN-102206172-A Substituted diaryl compound and preparation method and antiviral application thereof INST MED BIOTECHNOLOGY CAMS 2011-10-05 CN claimed
CN-114507867-B Preparation method of fluoroamide derivative 哈尔滨工业大学(深圳) 2023-04-14 CN disclosed
CN-114507867-A Preparation method of fluoroamide derivative 哈尔滨工业大学(深圳) 2022-05-17 CN disclosed
US-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease LYCERA CORPORATION (US) 2019-01-29 US disclosed
EP-3209641-A2 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF ROR AND THE TREATEMENT OF DISEASE Lycera Corporation (US) 2017-08-30 EP disclosed
US-20170190659-A1 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE WILMINGTON TRUST, NATIONAL ASSOCIATION 2017-07-06 US disclosed
CN-102869647-B As 5-HT6Sulfone compounds of receptor ligands SUVEN LIFE SCIENCES LTD 2015-06-24 CN disclosed
CN-102206172-B Substituted diaryl compound and preparation method and antiviral application thereof INST MED BIOTECHNOLOGY CAMS 2015-02-25 CN disclosed
EP-2445969-B1 NOVEL FLUORINATED RHODAMINES AS PHOTOSTABLE FLUORESCENT DYES FOR LABELLING AND IMAGING TECHNIQUES MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V (DE) 2014-08-27 EP disclosed
US-8735444-B2 Fluorinated rhodamines as photostable fluorescent dyes for labelling and imaging techniques MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2014-05-27 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
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-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 US disclosed
EP-0572455-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS Astra Pharmaceuticals Limited (GB) 1993-12-08 EP disclosed
WO-1992014714-A1 SUBSTITUTED PYRIDINONES AND PYRIMIDINONES AS ANGIOTENSIN II ANTAGONISTS FISONS PLC (GB) 1992-09-03 WO disclosed
EP-0500297-A1 Substituted pyridinones and pyrimidinones as angiotensin II antagonists FISONS plc (GB) 1992-08-26 EP disclosed
EP-0049555-B1 2-TRIFLUOROMETHYL-4-HYDROXY-3 QUINOLINE-CARBOXYLIC-ACID DERIVATIVES AND THEIR PREPARATION ROUSSEL-UCLAF (FR) 1984-02-22 EP disclosed
US-4299831-A 2-Trifluoromethyl-3-quinoline carboxamides, analgesic and anti-inflammatory compositions and methods employing them ROUSSEL UCLAF (FR) 1981-11-10 US disclosed
EP-0012639-A2 Quinolein-3-carboxylic acid derivatives, process for their preparation, their use in medicines and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1980-06-25 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-10189777-B2 Benzenesulfonamido and related compounds for use as agonists of RORγ and the treatment of disease RORC, RORB, RORA PDK1 2626/4885PDK2 1959/4885PDK3 1888/4885
US-20070106080-A1 Process for production of 1-aryl-5-(trifluoromethyl)-1h-tetrazoles TH, NAT1, PAH PDK1 3510/4885PDK2 1327/4885PDK3 2948/4885
US-20170190659-A1 BENZENESULFONAMIDO AND RELATED COMPOUNDS FOR USE AS AGONISTS OF RORy AND THE TREATMENT OF DISEASE RORB, RORA, RORC PDK1 2951/4885PDK2 1689/4885PDK3 1716/4885

“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.