SCHEMBL13497854

SCHEMBL13497854

NCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 2/20 0.67
▸ PRSS2 P07478 2/20 0.67
▸ PRSS3 P35030 2/20 0.67
▸ TPSAB1 Q15661 2/20 0.67
▸ F2 P00734 1/20 0.67
▸ FOLH1 Q04609 5/20 0.66
▸ TDP1 Q9NUW8 5/20 0.66
▸ PKM P14618 3/20 0.63
▸ PLCD1 P51178 1/20 0.58
▸ HSP90AB1 P08238 1/20 0.56
▸ CA12 O43570 1/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ PLG P00747 1/20 0.54
▸ MEN1 O00255 1/20 0.54
▸ ABL1 P00519 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ IDE P14735 1/20 0.54
▸ MAPK1 P28482 1/20 0.54

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
SCHEMBL13497916 1.00 PRSS1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL1697052 1.00 PRSS1 (0.67) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL18117435 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21531161 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL890035 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL25375533 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24670280 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24974563 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL21151130 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2
SCHEMBL24163378 0.97 PRSS1 (0.68) PRSS1PRSS2PRSS3TPSAB1F2

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-20100048890-A1 CONJUGATED SMALL MOLECULES DISCOVERX CORPORATION 2010-02-25 — — 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-20100048890-A1 CONJUGATED SMALL MOLECULES ERBB2, ALK, ACP1 PRSS1 3811/4885PRSS2 3561/4885PRSS3 3692/4885

“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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