SCHEMBL22993476

SCHEMBL22993476

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.44
NR1H2 P55055 2/20 0.44
DDB1 Q16531 1/20 0.42
CRBN Q96SW2 1/20 0.42
HDAC1 Q13547 2/20 0.40
GPR119 Q8TDV5 2/20 0.40
MAPK1 P28482 1/20 0.39
NAMPT P43490 6/20 0.38
RORC P51449 2/20 0.38
LIPG Q9Y5X9 1/20 0.37
TACR1 P25103 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDK2 Q15119 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
SCHEMBL29390908 1.00 ESR2 (0.44) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL22993475 0.89 ESR2 (0.44) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL29406715 0.89 ESR2 (0.44) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL29407443 0.83 ESR2 (0.46) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL24699613 0.83 ESR2 (0.49) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL22981885 0.83 ESR2 (0.46) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL29391446 0.81 ESR2 (0.43) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL22981534 0.81 ESR2 (0.43) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL29697625 0.81 ESR2 (0.43) ESR2NR1H2DDB1CRBNHDAC1
SCHEMBL30561531 0.81 MAPK1 (0.51) ESR2NR1H2DDB1CRBNHDAC1

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 ESR2 2034/4885NR1H2 794/4885DDB1 3192/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885DDB1 3192/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 ESR2 2034/4885NR1H2 794/4885DDB1 3192/4885

“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.