SCHEMBL940243

SCHEMBL940243

C[C@@H](O)C(=O)c1ccc(F)cc1F

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.64
CES1 P23141 4/20 0.64
ALDH1A1 P00352 1/20 0.43
MAPK14 Q16539 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
PSMB5 P28074 1/20 0.41
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SNCA P37840 1/20 0.40

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
SCHEMBL30485086 1.00 CES2 (0.64) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL2562024 1.00 CES2 (0.64) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL9046982 1.00 CES2 (0.64) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL9340459 0.86 CES2 (0.61) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL8292394 0.86 CES2 (0.61) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL21990664 0.85 CES2 (0.64) CES2CES1PSMB5
SCHEMBL13580704 0.85 CES2 (0.64) CES2CES1PSMB5
SCHEMBL7804388 0.85 CES2 (0.59) CES2CES1ALDH1A1MAPK14L3MBTL1
SCHEMBL30485128 0.85 CES2 (0.64) CES2CES1PSMB5
SCHEMBL2563657 0.85 CES2 (0.64) CES2CES1PSMB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1535914-B1 PROCESSES FOR PRODUCING EPOXYTRIAZOLE DERIVATIVE AND INTERMEDIATE THEREFOR SUMITOMO CHEMICAL CO (JP) 2011-11-02 EP claimed
US-7297802-B2 Production methods of epoxytriazole derivative and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-20 US claimed
EP-1535914-A1 PROCESSES FOR PRODUCING EPOXYTRIAZOLE DERIVATIVE AND INTERMEDIATE THEREFOR Sumitomo Chemical Company, Limited (JP) 2005-06-01 EP claimed
US-6884892-B2 Production methods of epoxytriazole derivative and intermediate therefor SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-26 US claimed
US-20040267024-A1 Production methods of epoxytriazole derivative and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2004-12-30 US claimed
US-20030236419-A1 Production methods of epoxytriazole derivative and intermediate therefor SUMIKA FINE CHEMICALS CO., LTD. (JP) 2003-12-25 US claimed
US-5426233-A Contacting dihalophenone type compound with chiral hydroxylating compound at low temperature SCHERING CORPORATION (US) 1995-06-20 US claimed
WO-1992017433-A1 PREPARATION OF CHIRAL HYDROXYKETONES SCHERING CORPORATION (US) 1992-10-15 WO claimed
EP-0506341-A1 Preparation of chiral hydroxyketones SCHERING CORPORATION (US) 1992-09-30 EP claimed
CN-110997646-B Process for producing epoxy alcohol compound 住友化学株式会社 2023-06-20 CN disclosed
EP-3666762-B1 METHOD FOR PRODUCING EPOXY ALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2022-04-06 EP disclosed
US-10730861-B2 Process for producing epoxy alcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-08-04 US disclosed
EP-3666762-A1 METHOD FOR PRODUCING EPOXY ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2020-06-17 EP disclosed
US-20200172520-A1 PROCESS FOR PRODUCING EPOXY ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-06-04 US disclosed
US-5405861-A Fungicides TAKEDA CHEMICAL INDUSTRIES, CO., LTD. (JP) 1995-04-11 US disclosed
EP-0332387-B1 Triazole derivatives, their preparation and their use as fungicides SANKYO CO (JP) 1993-11-24 EP disclosed
WO-1992017433-A1 PREPARATION OF CHIRAL HYDROXYKETONES SCHERING CORPORATION (US) 1992-10-15 WO disclosed
EP-0506341-A1 Preparation of chiral hydroxyketones SCHERING CORPORATION (US) 1992-09-30 EP disclosed
EP-0421210-A2 Triazole compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1991-04-10 EP disclosed
EP-0332387-A1 Triazole derivatives, their preparation and their use as fungicides Sankyo Company Limited (JP) 1989-09-13 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 (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-20040267024-A1 Production methods of epoxytriazole derivative and intermediate therefor ERG28, CYP51A1, SOAT2 CES2 3927/4885CES1 981/4885ALDH1A1 967/4885
US-20030236419-A1 Production methods of epoxytriazole derivative and intermediate therefor ERG28, CYP51A1, SOAT2 CES2 3927/4885CES1 981/4885ALDH1A1 967/4885
US-20200172520-A1 PROCESS FOR PRODUCING EPOXY ALCOHOL COMPOUND ERG28, CYP2E1, ADH5 CES2 1409/4885CES1 776/4885ALDH1A1 501/4885
US-10730861-B2 Process for producing epoxy alcohol compound ERG28, CYP2E1, ADH5 CES2 1409/4885CES1 776/4885ALDH1A1 501/4885

“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.