SCHEMBL22993203

SCHEMBL22993203

CC(C)(C)OC(=O)N1Cc2cc(CO)ccc2C2(CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 3/20 0.46
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
GPR119 Q8TDV5 3/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
NAMPT P43490 4/20 0.38
MAPK1 P28482 1/20 0.38
USP30 Q70CQ3 1/20 0.38
MMP2 P08253 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
RXRA P19793 1/20 0.36
NR1H3 Q13133 1/20 0.36
RORC P51449 2/20 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
SCHEMBL29388532 1.00 ESR2 (0.46) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL29697609 0.87 NR1H2 (0.50) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL29391233 0.87 NR1H2 (0.50) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL22993492 0.87 NR1H2 (0.50) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL12283366 0.83 ESR2 (0.48) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL12006705 0.83 NR1H2 (0.66) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL29390606 0.83 ESR2 (0.48) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL29554271 0.83 NR1H2 (0.66) ESR2NR1H2HDAC1HDAC8HDAC6
SCHEMBL29974005 0.82 ESR2 (0.54) ESR2NR1H2HDAC1GPR119DDB1
SCHEMBL1650190 0.82 ESR2 (0.54) ESR2NR1H2HDAC1GPR119DDB1

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-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

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.