SCHEMBL3370461

SCHEMBL3370461

CCOc1ccc(C(F)(F)F)cn1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
MAPK1 P28482 1/20 0.63
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.49
MAPT P10636 3/20 0.47
GABRA5 P31644 1/20 0.47
MRGPRX4 Q96LA9 1/20 0.47
POLB P06746 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.47
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
LIPE Q05469 1/20 0.42
RXRA P19793 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2B Q13224 1/20 0.41

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
SCHEMBL13481259 0.85 HPGD (0.55) HPGDMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL10274190 0.84 HPGD (0.54) HPGDMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL9255996 0.83 MAPK1 (0.74) HPGDMAPK1SMN1; SMN2TSHRMAPT
SCHEMBL12139578 0.82 MAPT (0.49) HPGDMAPK1SMN1; SMN2TSHRMAPT
SCHEMBL13347728 0.82 HPGD (0.52) HPGDMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL20381745 0.81 HPGD (0.51) HPGDMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL16592093 0.81 HPGD (0.51) HPGDMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL16592107 0.81 HPGD (0.51) HPGDMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL1995774 0.81 HPGD (0.50) HPGDMAPK1SMN1; SMN2TSHRKMT2A
SCHEMBL12204799 0.81 HPGD (0.48) HPGDMAPK1SMN1; SMN2TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022056447-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION (US) 2022-03-17 WO disclosed
EP-3119756-B1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION DOW AGROSCIENCES LLC (US) 2021-04-21 EP disclosed
US-10301283-B2 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-substituted-pyridin-2-yl)-3-(1h-tetrazol-1-yl)propan-2-ols and processes for their preparation DOW AGROSCIENCES, LLC (US) 2019-05-28 US disclosed
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2019-02-21 US disclosed
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2018-07-17 US disclosed
US-9988365-B2 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-substituted-pyridin-2-yl)-3-(1H-tetrazol-1-yl)propan-2-ols and processes for their preparation VPS-3, INC. (US) 2018-06-05 US disclosed
US-20180134690-A1 INDAZOLES AND USE THEREOF PURDUE PHARMA LP (US) 2018-05-17 US disclosed
US-20170158667-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION VIAMET PHARMACEUTICALS, INC. 2017-06-08 US disclosed
EP-3004107-B1 6,7-DIHYDROPYRAZOLO[1,5-A]PYRAZIN-4(5H)-ONE COMPOUNDS AND THEIR USE AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICA NV (BE) 2017-05-10 EP disclosed
EP-2398778-B1 AMINOPYRIDINEAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-03-26 EP disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 US disclosed
US-20060106071-A1 Substituted amides MERCK SHARP & DOHME CORP. 2006-05-18 US disclosed
US-6972295-B2 Substituted amides MERCK & CO., INC. (US) 2005-12-06 US disclosed
US-20050234061-A1 Substituted amides MERCK SHARP & DOHME CORP. 2005-10-20 US disclosed
EP-1575901-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (a New Jersey corp.) (US) 2005-09-21 EP disclosed
EP-1496838-A2 SUBSTITUTED AMIDES Merck & Co., Inc. (US) 2005-01-19 EP disclosed
WO-2004058145-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2004-07-15 WO disclosed
WO-2004048317-A1 SUBSTITUTED AMIDES ACTIVE AT THE CANNABINOID-1 RECEPTOR MERCK & CO., INC. (US) 2004-06-10 WO disclosed
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis MERCK SHARP & DOHME LLC 2004-03-25 US disclosed
WO-2003077847-A2 SUBSTITUTED AMIDES MERCK & CO., INC. (US) 2003-09-25 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-20060106071-A1 Substituted amides CNR1, CNR2, FAAH HPGD 3122/4885MAPK1 1133/4885SMN1; SMN2 608/4885
US-20040058820-A1 Central nervous system disorders; psychological disorders; antiinflammatory agents; multiple sclerosis CNR1, CNR2, MAG HPGD 3755/4885MAPK1 507/4885SMN1; SMN2 469/4885
US-20170158667-A1 2-(2,4-DIFLUOROPHENYL)-1,1-DIFLUORO-1-(5-SUBSTITUTED-PYRIDIN-2-YL)-3-(1H-TETRAZOL-1-YL)PROPAN-2-OLS AND PROCESSES FOR THEIR PREPARATION PDXK, PFKFB1, PDGFRA HPGD 3030/4885MAPK1 511/4885SMN1; SMN2 546/4885
US-20190055257-A1 SUBSTITUTED 6,7-DIHYDROPYRAZOLO[1,5-a]PYRAZINES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS GRM2, GRM5, GRM1 HPGD 2385/4885MAPK1 1724/4885SMN1; SMN2 1112/4885
US-20180134690-A1 INDAZOLES AND USE THEREOF TRPV3, TRPA1, TRPV1 HPGD 2070/4885MAPK1 2706/4885SMN1; SMN2 599/4885
US-10023532-B2 Alkyl phenyl sulfide derivative and pest control agent C1S, TRPA1, STK39 HPGD 4644/4885MAPK1 644/4885SMN1; SMN2 2399/4885
US-10301283-B2 2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-substituted-pyridin-2-yl)-3-(1h-tetrazol-1-yl)propan-2-ols and processes for their preparation PDXK, PFKFB1, PDGFRA HPGD 3030/4885MAPK1 511/4885SMN1; SMN2 546/4885
US-20050234061-A1 Substituted amides CNR1, CNR2, FAAH HPGD 3122/4885MAPK1 1133/4885SMN1; SMN2 608/4885

“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.