SCHEMBL31406607

SCHEMBL31406607

CC(C)[C@H](C)OC(=O)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 2/20 0.39
TBXAS1 P24557 5/20 0.36
AHR P35869 1/20 0.33
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL15884092 0.88 CYP24A1 (0.36) CYP24A1TBXAS1AHRFAAHMGLL
SCHEMBL2451086 0.85 CYP24A1 (0.38) CYP24A1TBXAS1AHRFAAHMGLL
SCHEMBL10663537 0.82 CYP24A1 (0.37) CYP24A1TBXAS1AHRFAAHMGLL
SCHEMBL1490570 0.79 CYP24A1 (0.38) CYP24A1TBXAS1AHRALDH1A1LMNA
SCHEMBL21813970 0.78 TBXAS1 (0.40) CYP24A1TBXAS1AHRFAAHMGLL
SCHEMBL20565284 0.78 CYP24A1 (0.37) CYP24A1TBXAS1AHRFAAHMGLL
SCHEMBL26596806 0.78 CYP24A1 (0.35) CYP24A1TBXAS1
SCHEMBL22309159 0.78 CYP24A1 (0.35) CYP24A1TBXAS1AHRFAAHMGLL
SCHEMBL21813971 0.78 TBXAS1 (0.40) CYP24A1TBXAS1AHRFAAHMGLL
SCHEMBL14158628 0.78 CYP24A1 (0.37) CYP24A1TBXAS1AHRFAAHMGLL

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-12448400-B2 KRAS G12D modulating compounds GILEAD SCIENCES, INC. (US) 2025-10-21 US disclosed
US-20250136621-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-05-01 US disclosed
US-20250109147-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. 2025-04-03 US disclosed
WO-2025054530-A1 PYRIMIDINE-CONTAINING POLYCYCLIC DERIVATIVES AS KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2025-03-13 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-12448400-B2 KRAS G12D modulating compounds KRAS, NRAS, HRAS CYP24A1 3243/4885TBXAS1 3807/4885AHR 2238/4885
US-20250136621-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS CYP24A1 3243/4885TBXAS1 3807/4885AHR 2238/4885
US-20250109147-A1 KRAS G12D MODULATING COMPOUNDS KRAS, NRAS, HRAS CYP24A1 3243/4885TBXAS1 3807/4885AHR 2238/4885

“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.