SCHEMBL17447242

SCHEMBL17447242

CC(C)(C)OC(=O)NCc1cc2cc[nH]c2cc1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.42
KDM4A O75164 1/20 0.42
KLKB1 P03952 1/20 0.42
MAP4K1 Q92918 1/20 0.42
CACNA1H O95180 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37
GRM2 Q14416 1/20 0.37
BCHE P06276 1/20 0.37
NQO2 P16083 1/20 0.37
KCNA5 P22460 1/20 0.36
CYP1A2 P05177 1/20 0.36
CDK2 P24941 1/20 0.36
IDO1 P14902 1/20 0.36
ACACB O00763 1/20 0.35

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
SCHEMBL23279818 0.82 GPR84 (0.49) GPR84KLKB1MAP4K1EPHX2PPARG
SCHEMBL23279829 0.81 CACNA1H (0.43) KDM4ACACNA1HCACNA1BCACNA1CGRM2
SCHEMBL17442832 0.80 GPR84 (0.50) GPR84KLKB1MAP4K1CACNA1HEPHX2
SCHEMBL29792562 0.79 L3MBTL1 (0.49) KDM4AKLKB1CACNA1HL3MBTL1GRM2
SCHEMBL7214903 0.79 L3MBTL1 (0.49) KDM4AKLKB1CACNA1HL3MBTL1GRM2
SCHEMBL1615764 0.79 NLRP3 (0.52) KDM4AL3MBTL1GRM2
SCHEMBL30193348 0.79 NLRP3 (0.52) KDM4AL3MBTL1GRM2
SCHEMBL17447291 0.77 P2RX7 (0.43) KDM4ACACNA1HCACNA1BCACNA1CJAK2
SCHEMBL17447287 0.76 KLKB1 (0.43) KLKB1MAP4K1CACNA1HCACNA1BCACNA1C
SCHEMBL7213842 0.76 L3MBTL1 (0.44) KDM4ACACNA1HCACNA1BCACNA1CJAK2

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-11021463-B2 Therapeutic inhibitory compounds ATTUNE PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-3169325-B1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS INC (US) 2021-04-28 EP disclosed
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2020-01-30 US disclosed
US-10266515-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-23 US disclosed
US-10259803-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2019-04-16 US disclosed
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2018-06-21 US disclosed
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2017-09-14 US disclosed
US-9611252-B2 Therapeutic inhibitory compounds LIFESCI PHARMACEUTICALS, INC. (BB) 2017-04-04 US disclosed
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS ATTUNE PHARMACEUTICALS, INC. 2016-07-14 US disclosed
WO-2016011209-A1 THERAPEUTIC INHIBITORY COMPOUNDS LIFESCI PHARMACEUTICALS, INC. (BB) 2016-01-21 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-20200031800-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885
US-20200031799-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885
US-20180170906-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885
US-20170260163-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885
US-20160200704-A1 THERAPEUTIC INHIBITORY COMPOUNDS KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885
US-10266515-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885
US-10259803-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885
US-11021463-B2 Therapeutic inhibitory compounds KLKB1, SERPINB1, SERPINE1 GPR84 1932/4885KDM4A 774/4885KLKB1 1/4885

“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.