SCHEMBL12372459

SCHEMBL12372459

O=C(CCCCC1SCC2NC(=O)NC21)NCCCCC(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.60
TDP1 Q9NUW8 1/20 0.59
CASP3 P42574 2/20 0.54
CASP1 P29466 1/20 0.54
CASP2 P42575 1/20 0.54
CASP7 P55210 1/20 0.54
CASP8 Q14790 1/20 0.54
CAPN1 P07384 2/20 0.49
CNR1 P21554 2/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
HSP90AB1 P08238 1/20 0.47
ITGB1 P05556 1/20 0.47
ITGA4 P13612 1/20 0.47

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
SCHEMBL30341710 1.00 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL9169411 1.00 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL30983347 1.00 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL19514702 1.00 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL30918604 1.00 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL31003995 1.00 FOLH1 (0.60) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL9175340 0.99 FOLH1 (0.59) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL31004008 0.94 FOLH1 (0.69) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL30302185 0.94 FOLH1 (0.69) FOLH1TDP1CASP3CASP1CASP2
SCHEMBL1009859 0.94 FOLH1 (0.56) FOLH1TDP1CASP3CASP1CASP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020232440-A1 PEPTIDE-BASED INHIBITORS THAT BLOCK AGGREGATION, SEEDING AND CROSS-SEEDING OF AMYLOID BETA AND TAU THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-11-19 WO disclosed
WO-2018170324-A1 STRUCTURE-BASED PEPTIDE INHIBITORS THAT TARGET THE TAU VQIINK FIBRILLIZATION SEGMENT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-09-20 WO disclosed
US-7989600-B2 Bioconjugation; drug screening GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. 2011-08-02 US disclosed
US-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification GLAXOSMITHKLINE ISTRAZIVACKI CENTAR ZAGREB D.O.O. (HR) 2008-10-02 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-20080241959-A1 Macrolide Compounds Containing Biotin and Photo-Affinity Group for Macrolide Target Identification BTD, HLCS, MRPL12 FOLH1 3502/4885TDP1 4699/4885CASP3 4637/4885

“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.