SCHEMBL22981885

SCHEMBL22981885

CC(C)(C)OC(=O)N1Cc2ccc(Br)cc2C(F)(F)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.45
HDAC1 Q13547 1/20 0.44
ABHD6 Q9BV23 3/20 0.43
DDB1 Q16531 1/20 0.43
CRBN Q96SW2 1/20 0.43
USP30 Q70CQ3 3/20 0.43
RORC P51449 3/20 0.42
MAPK1 P28482 1/20 0.40
NAMPT P43490 1/20 0.37
LMNA P02545 1/20 0.37
BACE1 P56817 1/20 0.37
ROCK2 O75116 1/20 0.36
PDK2 Q15119 1/20 0.36

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
SCHEMBL29407443 1.00 ESR2 (0.46) ESR2NR1H2HDAC1ABHD6DDB1
SCHEMBL30644260 0.91 ABHD6 (0.45) ESR2NR1H2HDAC1ABHD6DDB1
SCHEMBL20659831 0.85 ESR2 (0.49) ESR2NR1H2HDAC1ABHD6DDB1
SCHEMBL24699613 0.85 ESR2 (0.49) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL30561531 0.83 MAPK1 (0.51) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL22993249 0.83 HDAC1 (0.47) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL22993476 0.83 ESR2 (0.44) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL29390908 0.83 ESR2 (0.44) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL29390742 0.83 HDAC1 (0.47) ESR2NR1H2HDAC1DDB1CRBN
SCHEMBL22993475 0.82 ESR2 (0.44) ESR2NR1H2HDAC1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4313967-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2024-02-07 EP disclosed
CN-117120429-A KHK inhibitor 吉利德科学公司 2023-11-24 CN disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
WO-2022212194-A1 KHK INHIBITORS GILEAD SCIENCES, INC. (US) 2022-10-06 WO disclosed
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed
CN-114206852-A Plasma kallikrein inhibitors 卡尔维斯塔制药有限公司 2022-03-18 CN disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 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 (3 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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885HDAC1 286/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885HDAC1 286/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885HDAC1 286/4885

“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.