SCHEMBL10085164

SCHEMBL10085164

C=C1N[C@H]2CSC(CCCCC(=O)NCCCC[C@H](NC(=O)CN(CCc3ccc(OC)cc3)C(=O)CN(CCc3ccc(OC)cc3)C(=O)CN(CCN)C(=O)CN(CCc3ccc(OC)cc3)C(=O)CN(CCN)C(=O)CN(CCc3ccc(OC)cc3)C(=O)CN(CCc3ccc(OC)cc3)C(=O)CN(CCN)C(C)=O)C(N)=O)[C@H]2N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 4/20 0.44
▸ CA1 P00915 4/20 0.44
▸ CA2 P00918 4/20 0.44
▸ CA9 Q16790 4/20 0.44
▸ FOLH1 Q04609 5/20 0.40
▸ ALB P02768 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PLG P00747 1/20 0.38
▸ PRSS1 P07477 1/20 0.38
▸ PRSS2 P07478 1/20 0.38
▸ PRSS3 P35030 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ PADI6 Q6TGC4 1/20 0.37
▸ ITGB1 P05556 1/20 0.36
▸ ITGA4 P13612 1/20 0.36
▸ LCK P06239 2/20 0.36
▸ CASP3 P42574 2/20 0.35
▸ CASP1 P29466 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
SCHEMBL13045375 0.98 CA12 (0.46) CA12CA1CA2CA9FOLH1
SCHEMBL16299321 0.94 CA12 (0.52) CA12CA1CA2CA9FOLH1
SCHEMBL16329974 0.94 CA12 (0.52) CA12CA1CA2CA9FOLH1
SCHEMBL16330002 0.94 CA12 (0.52) CA12CA1CA2CA9FOLH1
SCHEMBL13045419 0.91 CA12 (0.54) CA12CA1CA2CA9FOLH1
SCHEMBL12387563 0.89 CA12 (0.41) CA12CA1CA2CA9FOLH1
SCHEMBL12387482 0.89 CA12 (0.41) CA12CA1CA2CA9FOLH1
SCHEMBL12387458 0.88 CA12 (0.44) CA12CA1CA2CA9FOLH1
SCHEMBL10085160 0.87 TDP1 (0.44) CA12CA1CA2CA9FOLH1
SCHEMBL13045392 0.85 FOLH1 (0.43) FOLH1TDP1PLGPRSS1PRSS2

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-20120027677-A1 Prion-specific peptoid reagents NOVARTIS AG 2012-02-02 — — 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-20120027677-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP CA12 3330/4885CA1 2710/4885CA2 3429/4885

“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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