SCHEMBL16315933

SCHEMBL16315933

COCCN(C)CC(=O)N(CCOC)CC(=O)N[C@@H](CCCCNC(=O)CCCCC1SC[C@@H]2NC(=O)N[C@H]12)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.53
▸ FOLH1 Q04609 7/20 0.51
▸ PLCD1 P51178 1/20 0.47
▸ PRSS1 P07477 2/20 0.47
▸ PRSS2 P07478 2/20 0.47
▸ PRSS3 P35030 2/20 0.47
▸ TPSAB1 Q15661 2/20 0.47
▸ F2 P00734 1/20 0.47
▸ CAPN1 P07384 2/20 0.46
▸ CNR1 P21554 2/20 0.45
▸ PLG P00747 1/20 0.44
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ PADI6 Q6TGC4 1/20 0.43

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
SCHEMBL16329967 0.97 TDP1 (0.51) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16329968 0.95 TDP1 (0.49) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL13045429 0.95 TDP1 (0.49) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16330041 0.94 TDP1 (0.57) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL14524594 0.92 TDP1 (0.43) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL13045423 0.92 TDP1 (0.47) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16350682 0.89 FOLH1 (0.51) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL12387575 0.89 TDP1 (0.40) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL16299318 0.88 TDP1 (0.48) TDP1FOLH1PLCD1PRSS1PRSS2
SCHEMBL10085177 0.88 PRSS1 (0.41) TDP1FOLH1PLCD1PRSS1PRSS2

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-20110189692-A1 ASSAY FOR PATHOGENIC CONFORMERS NOVARTIS AG 2011-08-04 — — 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 (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-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP TDP1 1545/4885FOLH1 416/4885PLCD1 3009/4885

“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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