SCHEMBL16998487

SCHEMBL16998487

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nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 2/20 0.38
MMP13 P45452 1/20 0.33
HIF1A Q16665 1/20 0.31
BUB1 O43683 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
CA7 P43166 1/20 0.31
DGAT1 O75907 1/20 0.31

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 0.84 AAK1 (0.36) AAK1MMP13BUB1CA1CA2
SCHEMBL17618251 0.84 AAK1 (0.36) AAK1MMP13BUB1CA1CA2
SCHEMBL4145893 0.83 AAK1 (0.37) AAK1MMP13CA1CA2CA7
SCHEMBL23986814 0.82 POLB (0.36) AAK1MMP13BUB1CA1CA2
SCHEMBL23976692 0.82 POLB (0.36) AAK1MMP13BUB1CA1CA2
SCHEMBL8386740 0.79 AAK1 (0.35) AAK1MMP13CA1CA2CA7
SCHEMBL13731788 0.79 AAK1 (0.35) AAK1MMP13CA1CA2CA7
SCHEMBL9455522 0.79 CA14 (0.41) AAK1MMP13CA1CA2CA7
SCHEMBL7021061 0.79 CA14 (0.41) AAK1MMP13CA1CA2CA7
SCHEMBL18796420 0.79 CA14 (0.41) AAK1MMP13CA1CA2CA7

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
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-9453048-B2 IAP antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2016-09-27 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 US disclosed
US-20150225452-A1 IAP ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2015-08-13 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 (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-20150225452-A1 IAP ANTAGONISTS XIAP, API5, BIRC5 AAK1 807/4885MMP13 2831/4885HIF1A 1865/4885

“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.