SCHEMBL23924759

SCHEMBL23924759

COc1cnc(Cl)nc1NC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.46
KDR P35968 1/20 0.46
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
PTK2 Q05397 1/20 0.39
ATF1 P18846 1/20 0.39
NFKB1 P19838 1/20 0.39
ADORA3 P0DMS8 4/20 0.38
DYRK1A Q13627 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
BRAF P15056 1/20 0.36
AGER Q15109 1/20 0.36
POLB P06746 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL1916945 0.80 CYP3A4 (0.51) ALDH1A1KDM4ECYP1A2TSHR
SCHEMBL12067848 0.80 ALDH1A1 (0.43) ALDH1A1KDM4ESMN1; SMN2ATF1NFKB1
SCHEMBL14300707 0.80 KMT2A (0.40) ALDH1A1KDM4ESMN1; SMN2ATF1NFKB1
SCHEMBL29594643 0.79 ALK (0.54) EGFRKDRALDH1A1SMN1; SMN2TSHR
SCHEMBL28728853 0.79 ALK (0.54) EGFRKDRALDH1A1SMN1; SMN2TSHR
SCHEMBL858362 0.78 KDM4E (0.35) EGFRKDRALDH1A1KDM4ESMN1; SMN2
SCHEMBL858364 0.78 KDM4E (0.35) EGFRKDRALDH1A1KDM4ESMN1; SMN2
SCHEMBL14556227 0.78 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2CYP1A2
SCHEMBL23924890 0.77 ALDH1A1 (0.38) EGFRALDH1A1CYP1A2TSHRADORA3
SCHEMBL30462001 0.76 ALDH1A1 (0.47) EGFRKDRALDH1A1KDM4ESMN1; SMN2

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 EGFR 2203/4885KDR 4010/4885ALDH1A1 2364/4885
US-20210323991-A1 TETRAHYDROPYRAN-BASED THIODISACCHARIDE MIMICS AS GALECTIN-3 INHIBITORS LGALS3, LGALS1, LGALS3BP EGFR 2203/4885KDR 4010/4885ALDH1A1 2364/4885

“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.