SCHEMBL5903549

SCHEMBL5903549

CN(CCOCCOCCOCCC(=O)Oc1cc(F)c(F)c(F)c1F)C(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.48
▸ PKM P14618 3/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ABL1 P00519 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ IDE P14735 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ RIN1 Q13671 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ F2 P00734 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45
▸ TPSAB1 Q15661 1/20 0.45
▸ CA12 O43570 4/20 0.45
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ CA9 Q16790 4/20 0.45
▸ FOLH1 Q04609 4/20 0.43

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
SCHEMBL14563108 0.92 TDP1 (0.50) TDP1PKMMEN1ABL1LMNA
SCHEMBL318637 0.86 TDP1 (0.61) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL4360688 0.83 TDP1 (0.64) TDP1PKMMEN1ABL1LMNA
SCHEMBL5903487 0.82 TDP1 (0.65) TDP1PKMMEN1ABL1LMNA
SCHEMBL20068708 0.82 TDP1 (0.65) TDP1PKMMEN1ABL1LMNA
SCHEMBL14563129 0.82 F2 (0.45) TDP1PKMMEN1ABL1LMNA
SCHEMBL5903492 0.81 TDP1 (0.55) TDP1PKMMEN1ABL1LMNA
SCHEMBL13790958 0.79 TDP1 (0.56) TDP1PKMMEN1ABL1LMNA
SCHEMBL318962 0.78 TDP1 (0.53) TDP1PKMMEN1ABL1LMNA
SCHEMBL29392244 0.77 PRSS1 (0.64) TDP1PKMF2PRSS1PRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141676-B1 Water soluble multi-biotin-containing compounds UNIVERSITY OF WASHINGTON (US) 2006-11-28 — — US disclosed
US-20060228325-A1 Water soluble multi-biotin-containing compounds WILBUR D S 2006-10-12 — — US disclosed
EP-1196199-A4 WATER SOLUBLE MULTI-BIOTIN-CONTAINING COMPOUNDS UNIV WASHINGTON (US) 2002-06-19 — — EP disclosed
EP-1196199-A2 WATER SOLUBLE MULTI-BIOTIN-CONTAINING COMPOUNDS University of Washington (US) 2002-04-17 — — EP disclosed
WO-2000072802-A2 WATER SOLUBLE MULTI-BIOTIN-CONTAINING COMPOUNDS UNIVERSITY OF WASHINGTON (US) 2000-12-07 — — WO 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-20060228325-A1 Water soluble multi-biotin-containing compounds BTD, HLCS, VNN1 TDP1 2706/4885PKM 4073/4885MEN1 3462/4885

“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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