SCHEMBL10085165

SCHEMBL10085165

C=C1N[C@H]2CSC(CCCCC(=O)NCCCC[C@H](NC(=O)CN(CCOC)C(=O)CN(CCO)C(=O)CN(C)CCCCN)C(N)=O)[C@H]2N1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PRSS1 P07477 3/20 0.40
▸ PRSS2 P07478 3/20 0.40
▸ PRSS3 P35030 3/20 0.40
▸ TPSAB1 Q15661 3/20 0.40
▸ PLG P00747 2/20 0.40
▸ FOLH1 Q04609 6/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ F2 P00734 2/20 0.36
▸ PLCD1 P51178 1/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ CAPN1 P07384 2/20 0.35
▸ VIM P08670 1/20 0.35

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
SCHEMBL10085177 0.98 PRSS1 (0.41) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13045423 0.93 TDP1 (0.47) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL14524594 0.93 TDP1 (0.43) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13045392 0.91 FOLH1 (0.43) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13045429 0.91 TDP1 (0.49) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10085179 0.90 PRSS1 (0.42) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL13045377 0.89 PLG (0.42) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL16329968 0.89 TDP1 (0.49) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL16329967 0.88 TDP1 (0.51) PRSS1PRSS2PRSS3TPSAB1PLG
SCHEMBL10085160 0.87 TDP1 (0.44) PRSS1PRSS2PRSS3TPSAB1PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 — — US disclosed
US-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 — — 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-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP PRSS1 290/4885PRSS2 340/4885PRSS3 127/4885
US-20120027677-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP PRSS1 290/4885PRSS2 340/4885PRSS3 127/4885

“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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