SCHEMBL13110899

SCHEMBL13110899

CC(=O)CNC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.67
▸ MEN1 O00255 1/20 0.65
▸ ABL1 P00519 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ PKM P14618 1/20 0.65
▸ IDE P14735 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ RIN1 Q13671 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ CA12 O43570 6/20 0.59
▸ CA1 P00915 6/20 0.59
▸ CA2 P00918 6/20 0.59
▸ CA9 Q16790 6/20 0.59
▸ HLCS P50747 4/20 0.59
▸ F2 P00734 1/20 0.55
▸ PRSS1 P07477 1/20 0.55
▸ PRSS2 P07478 1/20 0.55
▸ PRSS3 P35030 1/20 0.55
▸ TPSAB1 Q15661 1/20 0.55

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
SCHEMBL12672576 0.90 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL1810465 0.89 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM
SCHEMBL16063441 0.88 TDP1 (0.69) TDP1MEN1ABL1LMNAPKM
SCHEMBL13899175 0.88 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL19034459 0.88 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL23126169 0.88 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL23126156 0.88 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL8650557 0.88 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL10051079 0.88 TDP1 (0.70) TDP1MEN1ABL1LMNAPKM
SCHEMBL9412852 0.88 TDP1 (0.74) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170071905-A1 COMPOSITIONS AND METHODS FOR DRUG-SENSITIZATION OR INHIBITION OF A CANCER CELL THE TEXAS A&M UNIVERSITY SYSTEM 2017-03-16 — — US disclosed
US-7820797-B2 the glycolipopeptide combines features from a B-epitope glycan or glycopeptide and a T-epitope peptide derived from glycoproteins of mammalian origin; for use as a therapeutic or prophylactic vaccine UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2010-10-26 — — US disclosed
US-20090041836-A1 the glycolipopeptide combines features from a B-epitope glycan or glycopeptide and a T-epitope peptide derived from glycoproteins of mammalian origin; for use as a therapeutic or prophylactic vaccine UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 2009-02-12 — — 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 (2 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-20090041836-A1 the glycolipopeptide combines features from a B-epitope glycan or glycopeptide and a T-epitope peptide derived from glycoproteins of mammalian origin; for use as a therapeutic or prophylactic vaccine CD4, STT3A, UGCG TDP1 3316/4885MEN1 2669/4885ABL1 4185/4885
US-20170071905-A1 COMPOSITIONS AND METHODS FOR DRUG-SENSITIZATION OR INHIBITION OF A CANCER CELL ROS1, ABCC1, NQO1 TDP1 3027/4885MEN1 4441/4885ABL1 107/4885

“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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