SCHEMBL881371

SCHEMBL881371

CCC(CC)COC(=O)C(C)(C)N

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP3A4 P08684 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
ATM Q13315 1/20 0.38
PRKCA P17252 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CA2 P00918 2/20 0.33
HPGD P15428 1/20 0.33
RECQL P46063 1/20 0.32
PRSS1 P07477 1/20 0.32
PRSS2 P07478 1/20 0.32
PRSS3 P35030 1/20 0.32
LMNA P02545 2/20 0.31
CA1 P00915 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALOX15 P16050 1/20 0.30
MMP8 P22894 1/20 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
SCHEMBL13686673 0.83 PRKCA (0.52) TSHRCYP3A4TDP1ATMPRKCA
Hydrochloric Acid SCHEMBL29006988 0.82 CA2 (0.40) TSHRCYP3A4TDP1ATMPRKCA
SCHEMBL20747627 0.82 MAPT (0.42) PRKCAMMP8
SCHEMBL14198532 0.79 TSHR (0.38) TSHRCYP3A4TDP1ATMPRKCA
SCHEMBL26356786 0.79 TSHR (0.38) TSHRCYP3A4TDP1ATMPRKCA
Hydrochloric Acid SCHEMBL29006949 0.79 TSHR (0.32) TSHRCYP3A4TDP1ATMCA2
SCHEMBL21569976 0.78 PRKCA (0.38) PRKCA
SCHEMBL4678856 0.78 TSHR (0.43) TSHRTDP1PRKCAALDH1A1HSD17B10
Hydrochloric Acid SCHEMBL18492123 0.77 TSHR (0.42) TSHRTDP1PRKCAALDH1A1HSD17B10
SCHEMBL12076262 0.75 PRKCA (0.48) TSHRCYP3A4TDP1ATMPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332996-B L-ribofuranose type anti-coronavirus compound, and preparation method and application thereof 南京颐媛生物医学研究院有限公司 2025-04-01 CN claimed
CN-116332996-A Anti-coronavirus compound, preparation method and application thereof 南京颐媛生物医学研究院有限公司 2023-06-27 CN claimed
CN-116332996-B L-ribofuranose type anti-coronavirus compound, and preparation method and application thereof 南京颐媛生物医学研究院有限公司 2025-04-01 CN disclosed
CN-116332996-A Anti-coronavirus compound, preparation method and application thereof 南京颐媛生物医学研究院有限公司 2023-06-27 CN disclosed
US-10208045-B2 Aza-pyridone compounds and uses thereof ALIOS BIOPHARMA, INC. (US) 2019-02-19 US disclosed
WO-2012039787-A1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES, INC. (US) 2012-03-29 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-10208045-B2 Aza-pyridone compounds and uses thereof PNPO, ITPA, PDXK TSHR 2479/4885CYP3A4 279/4885TDP1 1026/4885

“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.