SCHEMBL19017236

SCHEMBL19017236

O=C(CCCCC1SC[C@H]2NC(=O)N[C@@H]12)NCCOCCOCCOCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.73
▸ PRSS1 P07477 1/20 0.73
▸ PRSS2 P07478 1/20 0.73
▸ PRSS3 P35030 1/20 0.73
▸ TPSAB1 Q15661 1/20 0.73
▸ PKM P14618 3/20 0.71
▸ FOLH1 Q04609 4/20 0.69
▸ TDP1 Q9NUW8 5/20 0.66
▸ MEN1 O00255 1/20 0.62
▸ ABL1 P00519 1/20 0.62
▸ LMNA P02545 1/20 0.62
▸ IDE P14735 1/20 0.62
▸ MAPK1 P28482 1/20 0.62
▸ KMT2A Q03164 1/20 0.62
▸ RIN1 Q13671 1/20 0.62
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ CA12 O43570 2/20 0.61
▸ CA1 P00915 2/20 0.61
▸ CA2 P00918 2/20 0.61
▸ CA9 Q16790 2/20 0.61

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
SCHEMBL15216220 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL4968230 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL19751698 1.00 F2 (0.73) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22748048 0.96 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22747968 0.96 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24514747 0.96 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL18549029 0.96 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22747965 0.96 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL22767679 0.96 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1
SCHEMBL24767163 0.96 F2 (0.69) F2PRSS1PRSS2PRSS3TPSAB1

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-20170174700-A1 Biotin Derivatives Life Technologies Corporation 2017-06-22 — — 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-20170174700-A1 Biotin Derivatives BTD, HLCS, BRI3BP F2 3416/4885PRSS1 1659/4885PRSS2 1369/4885

“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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