SCHEMBL22981676

SCHEMBL22981676

COC(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.49
ESR2 Q92731 1/20 0.44
HDAC1 Q13547 2/20 0.42
HDAC6 Q9UBN7 4/20 0.41
HDAC8 Q9BY41 2/20 0.41
PKM P14618 1/20 0.40
NAMPT P43490 5/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
MAPK1 P28482 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL29407434 1.00 NR1H2 (0.49) NR1H2ESR2HDAC1HDAC6HDAC8
SCHEMBL29407578 0.87 ESR2 (0.46) NR1H2ESR2HDAC1HDAC6HDAC8
SCHEMBL22993188 0.87 ESR2 (0.46) NR1H2ESR2HDAC1HDAC6HDAC8
SCHEMBL30091911 0.84 HDAC1 (0.56) NR1H2ESR2HDAC1HDAC6HDAC8
SCHEMBL329653 0.84 HDAC1 (0.56) NR1H2ESR2HDAC1HDAC6HDAC8
SCHEMBL7679231 0.82 NR1H2 (0.52) NR1H2ESR2HDAC1NAMPTDDB1
SCHEMBL12279892 0.82 NR1H2 (0.52) NR1H2ESR2HDAC1NAMPTDDB1
SCHEMBL29407058 0.82 NR1H2 (0.52) NR1H2ESR2HDAC1NAMPTDDB1
SCHEMBL446262 0.82 NR1H2 (0.64) NR1H2ESR2HDAC1NAMPTDDB1
SCHEMBL29507872 0.82 NR1H2 (0.64) NR1H2ESR2HDAC1NAMPTDDB1

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-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
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP 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-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
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.