SCHEMBL19396024

SCHEMBL19396024

CNC(=O)C(CCCNC(=O)CCCCC1SCC2NC(=O)NC21)NC(=O)COCCOCCNC(=O)COCCOCCNC(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.59
▸ PKM P14618 2/20 0.56
▸ PRSS1 P07477 2/20 0.52
▸ PRSS2 P07478 2/20 0.52
▸ PRSS3 P35030 2/20 0.52
▸ TPSAB1 Q15661 2/20 0.52
▸ F2 P00734 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49
▸ EGLN1 Q9GZT9 1/20 0.49
▸ KDM2A Q9Y2K7 1/20 0.49
▸ PLG P00747 1/20 0.48
▸ HSP90AB1 P08238 1/20 0.47
▸ CAPN1 P07384 2/20 0.47
▸ SORT1 Q99523 1/20 0.46
▸ VHL P40337 1/20 0.46
▸ ELOC Q15369 1/20 0.46
▸ ELOB Q15370 1/20 0.46

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
SCHEMBL19396023 0.92 FOLH1 (0.59) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL18025039 0.86 F2 (0.67) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL10110855 0.86 F2 (0.67) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL8115912 0.83 FOLH1 (0.61) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL10110857 0.82 F2 (0.65) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL19229658 0.82 PKM (0.70) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL12767763 0.82 FOLH1 (0.61) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL12147642 0.82 FOLH1 (0.61) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL12743524 0.80 FOLH1 (0.59) FOLH1PKMPRSS1PRSS2PRSS3
SCHEMBL14500455 0.80 FOLH1 (0.59) FOLH1PKMPRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275331-A1 SITE-SELECTIVE FUNCTIONALIZATION OF PROTEINS USING TRACELESS AFFINITY LABELS KRANTZ ALEXANDER (US) 2017-09-28 — — 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-20170275331-A1 SITE-SELECTIVE FUNCTIONALIZATION OF PROTEINS USING TRACELESS AFFINITY LABELS MYCBP, FABP3, STUB1 FOLH1 1058/4885PKM 3281/4885PRSS1 3081/4885

“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.

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