SCHEMBL29628486

SCHEMBL29628486

O=C(CBr)c1ccc(C(F)(F)F)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 19/20 0.48
HSD17B1 P14061 2/20 0.47

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
SCHEMBL15751564 0.83 HPGDS (0.36) HSD17B2HSD17B1
SCHEMBL3077344 0.79 HSD17B2 (0.52) HSD17B2HSD17B1
SCHEMBL19178226 0.77 HSD17B2 (0.51) HSD17B2HSD17B1
SCHEMBL19616295 0.77 HSD17B2 (0.54) HSD17B2HSD17B1
SCHEMBL844968 0.77 HSD17B2 (0.51) HSD17B2HSD17B1
SCHEMBL19178227 0.74 HSD17B2 (0.48) HSD17B2HSD17B1
SCHEMBL3056728 0.73 KDM4E (0.60) HSD17B2HSD17B1
SCHEMBL15967178 0.73 HSD17B2 (0.60) HSD17B2HSD17B1
SCHEMBL6375741 0.73 L3MBTL1 (0.53) HSD17B2HSD17B1
SCHEMBL22867299 0.73 HSD17B2 (0.54) HSD17B2HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3997096-B1 NEW HETEROCYCLIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2024-08-28 EP disclosed
US-20220242876-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-04 US disclosed
EP-3997096-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-05-18 EP 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-20220242876-A1 HETEROCYCLIC COMPOUNDS CYP1B1, CYP1A1, CYP1A2 HSD17B2 750/4885HSD17B1 954/4885

“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.