SCHEMBL22993492

SCHEMBL22993492

CC(C)(C)OC(=O)N1Cc2cc(CO)ccc2C(C)(C)C1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.50
ESR2 Q92731 1/20 0.44
HDAC1 Q13547 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAPK1 P28482 1/20 0.39
NAMPT P43490 7/20 0.39
RORC P51449 2/20 0.38
FPR1 P21462 1/20 0.35
FPR2 P25090 1/20 0.35
GNRHR P30968 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 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
SCHEMBL29391233 1.00 NR1H2 (0.50) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL29697609 1.00 NR1H2 (0.50) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL29388532 0.87 ESR2 (0.46) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL22993203 0.87 ESR2 (0.46) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL29974005 0.83 ESR2 (0.54) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL1650190 0.83 ESR2 (0.54) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL12279892 0.83 NR1H2 (0.52) NR1H2ESR2HDAC1GPR119DDB1
SCHEMBL29407058 0.83 NR1H2 (0.52) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL446262 0.83 NR1H2 (0.64) NR1H2ESR2HDAC1DDB1CRBN
SCHEMBL7679231 0.83 NR1H2 (0.52) NR1H2ESR2HDAC1DDB1CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
WO-2021028649-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

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 NR1H2 794/4885ESR2 2034/4885HDAC1 286/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 NR1H2 794/4885ESR2 2034/4885HDAC1 286/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 NR1H2 794/4885ESR2 2034/4885HDAC1 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.