SCHEMBL18794845

SCHEMBL18794845

O=C(O)COc1cc(Cl)cc(C(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.50
PPARD Q03181 3/20 0.47
PPARA Q07869 1/20 0.47
FFAR4 Q5NUL3 1/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MCL1 Q07820 1/20 0.43
SLC13A3 Q8WWT9 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TACR1 P25103 1/20 0.42
PTGDR Q13258 1/20 0.42
ALOX15 P16050 1/20 0.42

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
SCHEMBL2113930 0.88 PPARD (0.52) PTGDR2PPARDPPARARXRARXRB
SCHEMBL18794840 0.86 PDK2 (0.46) FFAR4SLC13A3TDP1L3MBTL1TACR1
SCHEMBL18794874 0.83 PDK2 (0.48) PPARDPPARASLC13A3TACR1
SCHEMBL5274567 0.82 ALOX15 (0.54) MCL1TDP1ALOX15
SCHEMBL18794839 0.81 PSEN1 (0.53) FFAR4SLC13A3TDP1L3MBTL1TACR1
SCHEMBL17896578 0.81 SMN1; SMN2 (0.58) PTGDR2PPARDPPARARXRARXRB
SCHEMBL12527817 0.81 PPARD (0.49) PTGDR2PPARDPPARARXRARXRB
SCHEMBL14258069 0.81 ALDH1A1 (0.47) PTGDR2PPARDPPARARXRARXRB
SCHEMBL18056097 0.78 RXRA (0.50) PTGDR2PPARDPPARARXRARXRB
SCHEMBL585546 0.75 KDM4E (0.68) PTGDR2PPARAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-03-31 US disclosed
EP-3917627-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS Ideaya Biosciences, Inc. (US) 2021-12-08 EP disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
WO-2020160134-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS IDEAYA BIOSCIENCES, INC. (US) 2020-08-06 WO disclosed
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2020-06-11 US disclosed
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2020-06-11 US disclosed
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents TRILLIUM THERAPEUTICS INC. (CA) 2020-03-31 US disclosed
US-20180334425-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2018-11-22 US disclosed
EP-3368509-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS Trillium Therapeutics Inc. (CA) 2018-09-05 EP disclosed
WO-2017070795-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 WO disclosed
WO-2017070795-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS TRILLIUM THERAPEUTICS INC. (CA) 2017-05-04 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-20220098154-A1 ACETAMIDO DERIVATIVES AS DNA POLYMERASE THETA INHIBITORS POLQ, POLH, POLB PTGDR2 2227/4885PPARD 1196/4885PPARA 891/4885
US-20180334425-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF PTGDR2 200/4885PPARD 293/4885PPARA 337/4885
US-10604476-B2 Fluorinated amide derivatives and their uses as therapeutic agents GRIN2A, ACHE, BDNF PTGDR2 200/4885PPARD 293/4885PPARA 337/4885
US-20200181067-A1 FLUORINATED AMIDE DERIVATIVES AND THEIR USES AS THERAPEUTIC AGENTS GRIN2A, ACHE, BDNF PTGDR2 200/4885PPARD 293/4885PPARA 337/4885

“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.