SCHEMBL17826

SCHEMBL17826

CC(O)(c1ccc(Cl)cc1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
HSD11B1 P28845 16/20 0.57
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
HIF1A Q16665 1/20 0.48
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL10165226 0.88 HSD11B1 (0.59) HSD11B1
SCHEMBL15459955 0.81 HSD11B1 (0.53) HSD11B1TSHRPDK1PDK2PDK3
SCHEMBL25753451 0.81 HSD11B1 (0.53) HSD11B1
Phenaglycodol SCHEMBL329242 0.81 MEN1 (0.65) MEN1KMT2AHSD11B1TSHRMAPK1
SCHEMBL29091899 0.81 MEN1 (0.65) MEN1KMT2AHSD11B1TSHRMAPK1
SCHEMBL29091903 0.81 MEN1 (0.65) MEN1KMT2AHSD11B1TSHRMAPK1
Phenaglycodol SCHEMBL259155 0.81 MEN1 (0.65) MEN1KMT2AHSD11B1TSHRMAPK1
SCHEMBL29092067 0.81 MEN1 (0.65) MEN1KMT2AHSD11B1TSHRMAPK1
SCHEMBL31507653 0.79 KMT2A (0.52) MEN1KMT2AHSD11B1TSHRMAPK1
SCHEMBL14697375 0.79 HSD11B1 (0.72) HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO claimed
US-11785845-B2 Composition FUJIFILM CORPORATION (JP) 2023-10-10 US disclosed
WO-2022130403-A1 NEW QUATERNARY AMMONIUM SALTS FOR TRIFLUOROMETHYLATION AND PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2022-06-23 WO disclosed
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material KANTO DENKA KOGYO CO., LTD. (JP) 2019-10-22 US disclosed
EP-3495341-A1 METHOD FOR PRODUCING PERFLUOROALKYL COMPOUND USING MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL Kanto Denka Kogyo Co., Ltd. (JP) 2019-06-12 EP disclosed
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL NATIONAL UNIVERSITY CORPORATION GUNMA UNIVERSITY (JP) 2019-06-06 US disclosed
US-8431563-B2 Compounds that interact with glucokinase regulatory protein for the treatment of diabetes AMGEN INC. (US) 2013-04-30 US disclosed
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-09-06 US disclosed
WO-2012027261-A1 SULFONYLPIPERAZINE DERIVATIVES THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES AMGEN INC. (US) 2012-03-01 WO disclosed
WO-2011073487-A1 PROCEDURE FOR THE ENANTIOSELECTIVE ADDITION OF ORGANOZINC COMPOUNDS TO COMPOUNDS DERIVED FROM ACETOPHENONES UNIVERSIDAD DE VALLADOLID (ES) 2011-06-23 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 (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-11785845-B2 Composition ADH1A, ADH1C, SLC19A2 MEN1 740/4885KMT2A 1344/4885HSD11B1 119/4885
US-20120225854-A1 COMPOUNDS THAT INTERACT WITH GLUCOKINASE REGULATORY PROTEIN FOR THE TREATMENT OF DIABETES GCKR, GCK, SLC5A2 MEN1 4072/4885KMT2A 3843/4885HSD11B1 1443/4885
US-20190169107-A1 PREPARATION PROCESS OF PERFLUOROALKYL COMPOUND WITH MONOHYDROPERFLUOROALKANE AS STARTING MATERIAL PFKFB1, PFKFB4, PFAS MEN1 1558/4885KMT2A 543/4885HSD11B1 149/4885
US-10450253-B2 Preparation process of perfluoroalkyl compound with monohydroperfluoroalkane as starting material PFKFB1, PFKFB4, PFAS MEN1 1558/4885KMT2A 543/4885HSD11B1 149/4885

“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.