SCHEMBL23924689

SCHEMBL23924689

COc1cnc(C#C[Si](C)(C)C)nc1NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
ADORA3 P0DMS8 5/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
DYRK1A Q13627 1/20 0.33
PIK3CG P48736 2/20 0.33
BRAF P15056 1/20 0.33
OGA O60502 1/20 0.32
ALOX15 P16050 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
SCHEMBL23924890 0.82 ALDH1A1 (0.38) ALDH1A1TSHRCYP1A2HSD17B10ADORA3
SCHEMBL23951052 0.82 IDO1 (0.34) ALDH1A1TSHRCYP1A2HSD17B10ADORA3
SCHEMBL23924759 0.74 EGFR (0.46) ALDH1A1TSHRCYP1A2KDM4EADORA3
SCHEMBL23235312 0.72 MEN1 (0.33) ADORA3
SCHEMBL23235298 0.69 CYP1A2 (0.45) CYP1A2KDM4EADORA3OGA
SCHEMBL19127706 0.67 CYP3A4 (0.47) ALDH1A1TSHRCYP1A2HSD17B10KDM4E
SCHEMBL422562 0.67 ALDH1A1 (0.33) ALDH1A1TSHRCYP1A2KDM4EDYRK1A
SCHEMBL1961748 0.67 ATM (0.40) ALDH1A1CYP1A2KDM4EMAPTPIK3CG
SCHEMBL1443111 0.66 TRPM8 (0.65) ALDH1A1KDM4EMAPT
SCHEMBL4771954 0.65 GAA (0.43) ALDH1A1CYP1A2HSD17B10KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11970511-B2 Tetrahydropyran-based thiodisaccharide mimics as Galectin-3 inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-30 US disclosed
EP-3807290-B1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-03-30 EP disclosed
US-20210323991-A1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-21 US disclosed
US-20210323991-A1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-21 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 (2 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-11970511-B2 Tetrahydropyran-based thiodisaccharide mimics as Galectin-3 inhibitors LGALS3, LGALS1, LGALS3BP ALDH1A1 2364/4885TSHR 724/4885CYP1A2 3883/4885
US-20210323991-A1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS LGALS3, LGALS1, LGALS3BP ALDH1A1 2364/4885TSHR 724/4885CYP1A2 3883/4885

“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.