SCHEMBL17618251

SCHEMBL17618251

CNC(=O)[C@H](C)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.36
MMP13 P45452 1/20 0.34
BUB1 O43683 2/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
DGAT1 O75907 1/20 0.31
MALT1 Q9UDY8 1/20 0.31
CA14 Q9ULX7 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL21258087 1.00 AAK1 (0.36) AAK1MMP13BUB1CA1CA2
SCHEMBL23986814 0.84 POLB (0.36) AAK1MMP13BUB1CA1CA2
SCHEMBL16998487 0.84 AAK1 (0.38) AAK1MMP13BUB1CA1CA2
SCHEMBL23976692 0.84 POLB (0.36) AAK1MMP13BUB1CA1CA2
SCHEMBL22267902 0.82 AAK1 (0.35) AAK1MMP13CA1CA2CA7
SCHEMBL18055298 0.82 AAK1 (0.35) AAK1MMP13CA1CA2CA7
SCHEMBL18796420 0.81 CA14 (0.41) AAK1MMP13CA1CA2CA7
SCHEMBL9455522 0.81 CA14 (0.41) AAK1MMP13CA1CA2CA7
SCHEMBL7021061 0.81 CA14 (0.41) AAK1MMP13CA1CA2CA7
SCHEMBL5090532 0.80 MME (0.36) AAK1MMP13BUB1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (US) 2023-05-11 US disclosed
EP-4100381-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2022-12-14 EP disclosed
WO-2021158481-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2021-08-12 WO disclosed
WO-2019154053-A1 IAP INHIBITOR AND USE OF SAME IN MEDICINE 广东东阳光药业有限公司 2019-08-15 WO disclosed
US-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2016-03-24 US disclosed
US-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY ASTEX THERAPEUTICS LIMITED (GB) 2016-03-24 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-20160083377-A1 BICYCLIC HETEROCYCLE COMPOUNDS AND THEIR USES IN THERAPY H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CCNI, CCNO AAK1 3235/4885MMP13 3365/4885BUB1 602/4885
US-20230143612-A1 SUBSTITUTED 1,1'-BIPHENYL COMPOUNDS AND METHODS USING SAME HAVCR2, HMBS, VHL AAK1 4588/4885MMP13 2678/4885BUB1 2361/4885

“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.