SCHEMBL12019811

SCHEMBL12019811

CC(=O)NCCCCC(NC(C)=O)C(=O)NC(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC21)C(N)=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.63
▸ FOLH1 Q04609 3/20 0.55
▸ CAPN1 P07384 2/20 0.55
▸ CASP3 P42574 2/20 0.50
▸ CA12 O43570 2/20 0.50
▸ CA1 P00915 2/20 0.50
▸ CA2 P00918 2/20 0.50
▸ CA9 Q16790 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ CASP2 P42575 1/20 0.50
▸ CASP7 P55210 1/20 0.50
▸ CASP8 Q14790 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ ABL1 P00519 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ IDE P14735 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ RIN1 Q13671 1/20 0.49

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
SCHEMBL16329977 0.95 TDP1 (0.69) TDP1FOLH1CAPN1CA12CA1
SCHEMBL19399628 0.93 TDP1 (0.66) TDP1FOLH1CAPN1CA12CA1
SCHEMBL13311812 0.91 TDP1 (0.56) TDP1FOLH1CAPN1CASP3CA12
SCHEMBL24858374 0.90 TDP1 (0.73) TDP1FOLH1CAPN1CASP3CA12
SCHEMBL29439931 0.90 TDP1 (0.73) TDP1FOLH1CAPN1CASP3CA12
SCHEMBL13311792 0.90 TDP1 (0.54) TDP1FOLH1CAPN1CASP3CA12
SCHEMBL13432796 0.90 TDP1 (0.54) TDP1FOLH1CAPN1CASP3CA12
SCHEMBL14524270 0.90 TDP1 (0.54) TDP1FOLH1CAPN1CASP3CA12
SCHEMBL29439904 0.88 TDP1 (0.75) TDP1FOLH1CAPN1CA12CA1
SCHEMBL13311796 0.88 TDP1 (0.52) TDP1FOLH1CAPN1CASP3CASP1

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-20120220540-A1 SYNBODIES TO AKT1 ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2012-08-30 — — 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-20120220540-A1 SYNBODIES TO AKT1 AKT1S1, AKT1, AKT3 TDP1 1957/4885FOLH1 1305/4885CAPN1 3570/4885

“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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