SCHEMBL29344159

SCHEMBL29344159

CC1(C)OB(c2cc(Cl)c(OC(F)(F)F)c(Br)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LPL P06858 2/20 0.33
LIPG Q9Y5X9 2/20 0.33
EGFR P00533 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
F2 P00734 1/20 0.30
F11 P03951 1/20 0.30
PRSS1 P07477 1/20 0.30
PRSS2 P07478 1/20 0.30
PRSS3 P35030 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL14956934 0.90 LPL (0.37) LPLLIPGEGFRAAK1F2
SCHEMBL31256420 0.86 LPL (0.37) LPLLIPGF2F11PRSS1
SCHEMBL23625380 0.79 LPL (0.41) LPLLIPGAAK1F2F11
SCHEMBL30032666 0.78 LPL (0.35) LPLLIPGEGFRAAK1F2
SCHEMBL24616359 0.78 LPL (0.35) LPLLIPGEGFRAAK1F2
SCHEMBL14746208 0.74 AAK1 (0.45) LPLLIPGEGFRAAK1F2
SCHEMBL14956288 0.74 AAK1 (0.38) LPLLIPGEGFRAAK1F2
SCHEMBL3241305 0.74 CA2 (0.39) LPLLIPG
SCHEMBL3239432 0.74 LPL (0.38) LPLLIPGAAK1F11
SCHEMBL14676565 0.74 LPL (0.39) LPLLIPGEGFRAAK1

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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
US-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT TAIHO PHARMACEUTICAL CO., LTD. (JP) 2024-07-18 US disclosed
EP-4322954-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT Merck Sharp & Dohme LLC (US) 2024-02-21 EP disclosed
WO-2022221739-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT MERCK SHARP & DOHME CORP. (US) 2022-10-20 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-20240239788-A1 SMALL MOLECULE INHIBITORS OF KRAS G12D MUTANT KRAS, NRAS, HRAS LPL 3559/4885LIPG 2615/4885EGFR 567/4885

“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.