SCHEMBL9803175

SCHEMBL9803175

CCOC(=O)C1(C(=O)OCC)NC(=O)CC1C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.53
GAA P10253 1/20 0.53
POLB P06746 1/20 0.39
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA7 P43166 5/20 0.36
CA9 Q16790 5/20 0.36
ATM Q13315 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRK1 P41145 1/20 0.34
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ALOX12 P18054 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL19850673 0.80 GAA (0.57) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL9786463 0.80 GAA (0.57) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL1169368 0.78 SMN1; SMN2 (0.56) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL14895396 0.76 SMN1; SMN2 (0.53) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL19850671 0.76 SMN1; SMN2 (0.64) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL16032593 0.72 SMN1; SMN2 (0.50) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL6076839 0.72 SMN1; SMN2 (0.35) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL3904169 0.71 SMN1; SMN2 (0.90) SMN1; SMN2GAACA12CA1CA2
SCHEMBL9802440 0.71 GAA (0.71) SMN1; SMN2GAAPOLBCA12CA1
SCHEMBL29791881 0.69 GAA (0.46) SMN1; SMN2GAAPOLBATMHSD17B10

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
US-20220356148-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2022-11-10 US disclosed
US-11091428-B2 Antiviral compounds HAPLOGEN GMBH (AT) 2021-08-17 US disclosed
US-20190225575-A1 ANTIVIRAL COMPOUNDS LUNIS CONSULTING GMBH (AT) 2019-07-25 US disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed
US-5049577-A 2-pyrrolidone substituted dihydroxy alkanoic, alkenoic and alkynoic acids, compositions and HMG-CoA reductase inhibition therewith E. R. SQUIBB & SONS, INC. (US) 1991-09-17 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 (3 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-20190225575-A1 ANTIVIRAL COMPOUNDS PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885GAA 75/4885POLB 833/4885
US-20220356148-A1 ANTIVIRAL COMPOUNDS PLA2G12A, PLA2G1B, PLA2G4C SMN1; SMN2 1086/4885GAA 107/4885POLB 617/4885
US-11091428-B2 Antiviral compounds PLA2G1B, PLA2G12A, PLA2G4C SMN1; SMN2 706/4885GAA 75/4885POLB 833/4885

“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.