SCHEMBL22777974

SCHEMBL22777974

CC(C)(C)[Si](C)(C)OCCc1cc([N+](=O)[O-])cc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
PKLR P30613 1/20 0.39
PTPRA P18433 1/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 3/20 0.32
GAA P10253 2/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
NAMPT P43490 1/20 0.32
XDH P47989 1/20 0.32
POLB P06746 2/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
DUT P33316 2/20 0.31
NQO2 P16083 1/20 0.31
KCNJ1 P48048 2/20 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
SCHEMBL29714424 0.82 PKM (0.44) PKMPKLRPTPRASMN1; SMN2MAPT
SCHEMBL22777948 0.82 PKM (0.44) PKMPKLRPTPRASMN1; SMN2MAPT
SCHEMBL22778106 0.80 DUT (0.32) DUT
SCHEMBL29714429 0.80 DUT (0.32) DUT
SCHEMBL8650420 0.76 POLB (0.50) PKMPKLRPTPRAMAPTGAA
SCHEMBL31180430 0.75 CA2 (0.41) ALDH1A1CYP3A4HTT
SCHEMBL22778079 0.75 PKM (0.39) PKMPKLRPTPRAMAPTGAA
SCHEMBL22777962 0.75 PKM (0.47) PKMPKLRPTPRASMN1; SMN2MAPT
SCHEMBL22777992 0.74 HTR2A (0.45) PKMPKLRPTPRA
SCHEMBL23882981 0.72 HSD17B10 (0.43) ALDH1A1SMN1; SMN2MAPTCYP2C19CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2023-03-23 US disclosed
EP-3983383-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM Due, Inc. (US) 2022-04-20 EP disclosed
WO-2020252240-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2020-12-17 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-20230092163-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 PKM 3487/4885PKLR 3873/4885PTPRA 2993/4885

“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.