SCHEMBL23320063

SCHEMBL23320063

COC(=O)c1cc(-c2ccccc2)n(COCC[Si](C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 5/20 0.43
▸ KDM4E B2RXH2 4/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ ALDH1A3 P47895 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL25999949 0.79 KDM4E (0.48) KDM4ENPC1ALDH1A1HPGDPKM
SCHEMBL14605115 0.77 TDP1 (0.43) KDM4EALDH1A1HPGDNPSR1SMN1; SMN2
SCHEMBL18304450 0.76 MAPK10 (0.56) KDM4EALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL12913189 0.76 MAPK10 (0.40) DGAT1KDM4ENPC1ALDH1A1MAPT
SCHEMBL18304519 0.74 MAPK10 (0.38) DGAT1KDM4ENPC1ALDH1A1MAPT
SCHEMBL24724721 0.74 NPC1 (0.40) DGAT1KDM4ENPC1ALDH1A1HPGD
SCHEMBL5256811 0.74 NPC1 (0.37) DGAT1KDM4ENPC1ALDH1A1HPGD
SCHEMBL18304476 0.74 MAPK10 (0.38) DGAT1KDM4ENPC1ALDH1A1NPSR1
SCHEMBL23163199 0.74 SMN1; SMN2 (0.41) KDM4ENPC1ALDH1A1PKMMAPT
SCHEMBL22897082 0.73 ALDH1A1 (0.44) DGAT1KDM4ENPC1ALDH1A1HPGD

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
CN-112823151-B Compounds and compositions for the treatment of diseases associated with STING activity 艾福姆德尤股份有限公司 2024-11-15 — — CN disclosed
US-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2021-08-05 — — US disclosed
CN-112823151-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2021-05-18 — — CN disclosed
EP-3818044-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2021-05-12 — — EP 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-20210236466-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 DGAT1 1032/4885KDM4E 3761/4885NPC1 859/4885

“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.

Send feedback