SCHEMBL25326296

SCHEMBL25326296

N=S(=O)(c1cccc(O)c1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
ABCC9 O60706 1/20 0.43
ABCC8 Q09428 1/20 0.43
KCNJ11 Q14654 1/20 0.43
KCNJ8 Q15842 1/20 0.43
HSD17B2 P37059 7/20 0.41
HSD17B1 P14061 6/20 0.41
CA2 P00918 5/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 1/20 0.41
CA5A P35218 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MMP2 P08253 2/20 0.39
CA1 P00915 2/20 0.39
MMP1 P03956 1/20 0.39

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
SCHEMBL7937188 0.82 ALDH1A1 (0.48) PKMABCC9ABCC8KCNJ11KCNJ8
SCHEMBL30409698 0.79 CA2 (0.46) HSD17B2CA2CA9CA5AMMP2
SCHEMBL27246459 0.79 CA2 (0.46) HSD17B2CA2CA9CA5AMMP2
SCHEMBL30485902 0.77 CA2 (0.50) PKMHSD17B2HSD17B1CA2CA12
SCHEMBL16555631 0.77 HTR6 (0.46) CA2CA12CA9ALDH1A1CA5A
SCHEMBL29217885 0.75 LMNA (0.50) PKMCA2CA12CA9ALDH1A1
SCHEMBL7492408 0.75 CA2 (0.48) PKMHSD17B2HSD17B1CA2CA12
SCHEMBL69135 0.74 CA2 (0.61) PKMABCC9ABCC8KCNJ11KCNJ8
SCHEMBL31146723 0.74 CA2 (0.61) PKMABCC9ABCC8KCNJ11KCNJ8
SCHEMBL10340796 0.74 CA2 (0.61) PKMABCC9ABCC8KCNJ11KCNJ8

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
US-20250099448-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2025-03-27 US disclosed
EP-4469446-A1 NEW HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2024-12-04 EP disclosed
WO-2023144160-A1 NEW HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-08-03 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-20250099448-A1 HETEROCYCLIC COMPOUNDS OPRM1, CYP1A1, CYP3A4 PKM 2418/4885ABCC9 320/4885ABCC8 321/4885

“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.