SCHEMBL5560650

SCHEMBL5560650

COC(=O)[C@@H]1C(O[Si](C)(C)C(C)(C)C)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RECQL P46063 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KLK7 P49862 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
PTPN1 P18031 1/20 0.32

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
SCHEMBL24411297 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL820473 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL375503 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL29819835 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2954122 1.00 EPHX1 (0.36) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2962701 0.93 ALDH1A1 (0.39) EPHX1ALDH1A1HSD17B10SMN1; SMN2KLK7
SCHEMBL13199587 0.93 ALDH1A1 (0.39) EPHX1ALDH1A1HSD17B10SMN1; SMN2KLK7
SCHEMBL22980251 0.90 CHRM2 (0.35) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL2023504 0.87 HSD17B10 (0.40) EPHX1CHRM2CHRM1CHRM3ALDH1A1
SCHEMBL6095020 0.87 HSD17B10 (0.40) EPHX1CHRM2CHRM1CHRM3ALDH1A1

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-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY 2024-07-11 US disclosed
WO-2022261154-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS ELI LILLY AND COMPANY (US) 2022-12-15 WO disclosed
EP-1729763-A4 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL MYERS SQUIBB CO (US) 2007-10-31 EP disclosed
EP-1729763-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD Bristol-Myers Squibb Company (US) 2006-12-13 EP disclosed
WO-2005089118-A2 NOVEL BICYCLIC COMPOUNDS AS MODULATORS OF ANDROGEN RECEPTOR FUNCTION AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2005-09-29 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-20240228511-A1 SUBSTITUTED FUSED AZINES AS KRAS G12D INHIBITORS KRAS, NRAS, TP53 EPHX1 2891/4885CHRM2 3723/4885CHRM1 3059/4885

“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.