SCHEMBL24853005

SCHEMBL24853005

CC1(C)OB(c2ccc([C@@H]3CCC(=O)N3)cc2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
LPL P06858 12/20 0.41
LIPG Q9Y5X9 12/20 0.41
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CA12 O43570 1/20 0.38
CA3 P07451 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CA5B Q9Y2D0 1/20 0.38
HDAC2 Q92769 1/20 0.35
F11 P03951 2/20 0.35
P4HB P07237 1/20 0.34

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
SCHEMBL2036180 1.00 CA1 (0.41) CA1CA2CA9LPLLIPG
SCHEMBL22595340 0.87 LIPG (0.44) CA1CA2CA9LPLLIPG
SCHEMBL18341000 0.84 PDE4A (0.39) CA1CA2CA9LPLLIPG
SCHEMBL29548002 0.81 PDE4A (0.34) CA1CA2CA9PDE4APDE4B
SCHEMBL24270187 0.81 PDE4A (0.34) CA1CA2CA9PDE4APDE4B
SCHEMBL3703699 0.80 LIPG (0.41) CA1CA2CA9LPLLIPG
SCHEMBL3703697 0.80 LIPG (0.41) CA1CA2CA9LPLLIPG
SCHEMBL20401812 0.79 LIPG (0.51) CA1CA2CA9LPLLIPG
SCHEMBL2756395 0.76 LPL (0.45) CA1CA2CA9LPLLIPG
SCHEMBL15906578 0.75 LIPG (0.47) CA1CA2CA9LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2024-08-29 US disclosed
EP-4362978-A1 IL4I1 INHIBITORS AND METHODS OF USE Merck Sharp & Dohme LLC (US) 2024-05-08 EP disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed
WO-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 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 (1 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-20240287022-A1 IL4I1 INHIBITORS AND METHODS OF USE IL4I1, IL4, IL1RN CA1 3686/4885CA2 2081/4885CA9 1973/4885

“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.