SCHEMBL1997531

SCHEMBL1997531

COC(=O)c1cc(F)cc(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.61
CES1 P23141 3/20 0.61
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SOS1 Q07889 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA7 P43166 2/20 0.40
CA9 Q16790 2/20 0.40
CA14 Q9ULX7 2/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
GAA P10253 3/20 0.39
POLB P06746 1/20 0.39
NFKB1 P19838 1/20 0.39
XDH P47989 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL1994444 0.83 MAPT (0.43) CES2CES1SLC6A4SLC6A3SOS1
SCHEMBL24436888 0.82 CA12 (0.52) CES2CES1SLC6A4SLC6A3SOS1
SCHEMBL15662308 0.82 LMNA (0.47) CES2CES1SLC6A4SLC6A3CA12
SCHEMBL26799159 0.82 CES2 (0.44) CES2CES1SLC6A4SLC6A3SOS1
SCHEMBL1422048 0.82 SLC6A4 (0.41) CES2CES1SLC6A4SLC6A3SOS1
SCHEMBL18878112 0.82 CES2 (0.44) CES2CES1SLC6A4SLC6A3CA12
SCHEMBL18393199 0.81 KDM4E (0.45) CES2CES1SLC6A4SLC6A3CA12
SCHEMBL19840664 0.81 KDM4E (0.49) CES2CES1SLC6A4SLC6A3KDM4E
SCHEMBL28406632 0.81 CES2 (0.42) CES2CES1SLC6A4SLC6A3SOS1
SCHEMBL9223895 0.81 KDM4E (0.47) SOS1CA1CA2KDM4EGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AJINOMOTO CO., INC. (JP) 2023-08-03 US disclosed
US-8952083-B2 Fluorocopolymer composition and its production process ASAHI GLASS COMPANY, LIMITED (JP) 2015-02-10 US disclosed
EP-2338935-B1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS CO LTD (JP) 2012-12-12 EP disclosed
US-20110172336-A1 FLUOROCOPOLYMER COMPOSITION AND ITS PRODUCTION PROCESS ASAHI GLASS COMPANY, LIMITED (JP) 2011-07-14 US disclosed
EP-2338935-A1 FLUORINE-CONTAINING COPOLYMER COMPOSITION AND PROCESS FOR PRODUCTION THEREOF ASAHI GLASS COMPANY, LIMITED (JP) 2011-06-29 EP disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-7893267-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2011-02-22 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US 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 (2 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CES2 521/4885CES1 146/4885SLC6A4 3984/4885
US-20230242705-A1 ESTER COMPOUND AND RESIN COMPOSITION AFF4, AFF1, AFF2 CES2 227/4885CES1 1170/4885SLC6A4 4380/4885

“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.