SCHEMBL29344158

SCHEMBL29344158

Oc1cc(Cl)c(OC(F)(F)F)c(Br)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37
ALOX5 P09917 1/20 0.32
PTGS2 P35354 1/20 0.32
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
AURKA O14965 1/20 0.30
TPX2 Q9ULW0 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
SCHEMBL24512726 0.86 HSD17B10 (0.44) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL22954647 0.81 CA1 (0.34) HSD17B10CYP3A4
SCHEMBL31256373 0.79 ALOX5 (0.33) ALOX5PTGS2AURKATPX2
SCHEMBL29344162 0.78 KMT2A (0.42) CYP3A4HPGD
SCHEMBL27044334 0.78 CYP3A4 (0.43) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL26231908 0.74 WDR5 (0.35)
SCHEMBL17744493 0.74 AKR1C2 (0.32) AKR1C2AKR1C1
SCHEMBL30034058 0.71 HSD17B10 (0.41) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL23043288 0.71 HSD17B10 (0.41) HSD17B10CYP3A4HPGDCRHBPCRHR2
SCHEMBL13855834 0.70 AKR1C2 (0.32) CYP3A4AKR1C2AKR1C1

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 5 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
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 HSD17B10 4468/4885CYP3A4 4645/4885HPGD 816/4885

“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.