SCHEMBL16299304

SCHEMBL16299304

CN(CCCCN)CC(=O)N(CC(=O)N(CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O)Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 7/20 0.55
▸ PLG P00747 2/20 0.49
▸ PRSS1 P07477 2/20 0.49
▸ PRSS2 P07478 2/20 0.49
▸ PRSS3 P35030 2/20 0.49
▸ TPSAB1 Q15661 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ CA12 O43570 4/20 0.47
▸ CA1 P00915 4/20 0.47
▸ CA2 P00918 4/20 0.47
▸ CA9 Q16790 4/20 0.47
▸ CASP3 P42574 2/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ CASP2 P42575 1/20 0.46
▸ CASP7 P55210 1/20 0.46
▸ CASP8 Q14790 1/20 0.46
▸ ITGB1 P05556 1/20 0.45
▸ ITGA4 P13612 1/20 0.45
▸ HSP90AB1 P08238 1/20 0.44
▸ F2 P00734 1/20 0.44

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
SCHEMBL16329971 0.99 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045424 0.96 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16350635 0.93 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL10085174 0.93 FOLH1 (0.48) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16329973 0.93 FOLH1 (0.56) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL12387469 0.89 FOLH1 (0.45) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045429 0.88 TDP1 (0.49) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16299298 0.88 TDP1 (0.49) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL13045386 0.87 FOLH1 (0.49) FOLH1PLGPRSS1PRSS2PRSS3
SCHEMBL16329968 0.86 TDP1 (0.49) FOLH1PLGPRSS1PRSS2PRSS3

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 FOLH1 416/4885PLG 912/4885PRSS1 290/4885
US-20120027677-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP FOLH1 416/4885PLG 912/4885PRSS1 290/4885

“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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