SCHEMBL25314029

SCHEMBL25314029

C[Sn](C)(C)c1nncc(C2CC2)n1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
NOTUM Q6P988 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
SCHEMBL30989714 1.00 CYP11B1 (0.31) CYP11B1CYP11B2NOTUM
SCHEMBL30989785 0.73 NOTUM (0.31) NOTUM
SCHEMBL11268817 0.71 ALDH1A1 (0.45) CYP11B1CYP11B2
SCHEMBL30488533 0.71 ALDH1A1 (0.45) CYP11B1CYP11B2
SCHEMBL29257102 0.71 PIK3CD (0.33)
SCHEMBL30446971 0.71 PIK3CD (0.33)
SCHEMBL30488561 0.68 TLR8 (0.43) CYP11B2
SCHEMBL25258684 0.68 TLR8 (0.43) CYP11B2
SCHEMBL18508459 0.67 L3MBTL1 (0.37) CYP11B1CYP11B2
SCHEMBL30989709 0.65 NOTUM (0.38) NOTUM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US 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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR CYP11B1 132/4885CYP11B2 106/4885NOTUM 2199/4885

“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.