SCHEMBL84334

SCHEMBL84334

CC(C)C(NC(=O)CNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)NC(CCCNC(N)=O)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 2/20 0.40
▸ CASP3 P42574 2/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ PTPN1 P18031 4/20 0.38
▸ MAP1LC3B Q9GZQ8 1/20 0.38
▸ TPSAB1 Q15661 1/20 0.38

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
SCHEMBL29694582 0.99 FURIN (0.39) FURINCASP3TLR2KMT2APTPN1
SCHEMBL10066102 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL84123 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL29737788 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL12944386 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL31371875 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL13830419 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL13044093 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL22387795 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1
SCHEMBL29407919 0.93 CASP3 (0.45) FURINCASP3TLR2PTPN1

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-8129505-B2 Formed by catalytic polymerization; antibody conjugates UCB PHARMA S.A. (BE) 2012-03-06 — — US disclosed
US-20080220005-A1 Comb Polymers UCB PHARMA S.A. (BE) 2008-09-11 — — 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-20080220005-A1 Comb Polymers C9, F13B, PYM1 FURIN 595/4885CASP3 2347/4885TLR2 2567/4885

“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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