SCHEMBL19608935

SCHEMBL19608935

O=C(O)CCOCCOCCOCCOCCC(=O)C(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.73
▸ PKM P14618 2/20 0.73
▸ MEN1 O00255 1/20 0.73
▸ ABL1 P00519 1/20 0.73
▸ LMNA P02545 1/20 0.73
▸ IDE P14735 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ KMT2A Q03164 1/20 0.73
▸ RIN1 Q13671 1/20 0.73
▸ L3MBTL1 Q9Y468 1/20 0.73
▸ FOLH1 Q04609 3/20 0.56
▸ HLCS P50747 6/20 0.55
▸ F2 P00734 1/20 0.53
▸ PRSS1 P07477 1/20 0.53
▸ PRSS2 P07478 1/20 0.53
▸ PRSS3 P35030 1/20 0.53
▸ TPSAB1 Q15661 1/20 0.53
▸ CA12 O43570 2/20 0.49
▸ CA1 P00915 2/20 0.49
▸ CA2 P00918 2/20 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
SCHEMBL19803917 0.90 TDP1 (0.72) TDP1PKMMEN1ABL1LMNA
SCHEMBL21422293 0.89 TDP1 (0.70) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL4461484 0.87 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL2107780 0.87 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
SCHEMBL903553 0.87 TDP1 (0.83) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL15283293 0.87 TDP1 (0.97) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL924563 0.86 TDP1 (0.77) TDP1PKMMEN1ABL1LMNA
SCHEMBL518031 0.86 FOLH1 (0.74) TDP1PKMMEN1ABL1LMNA
SCHEMBL13907093 0.86 FOLH1 (0.74) TDP1PKMMEN1ABL1LMNA
SCHEMBL17975148 0.86 FOLH1 (0.74) TDP1PKMMEN1ABL1LMNA

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-10407468-B2 Methods for synthesizing α4β7 peptide antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2019-09-10 — — US disclosed
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2017-11-16 — — 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-10407468-B2 Methods for synthesizing α4β7 peptide antagonists PSMA7, VIP, ITGB7 TDP1 3503/4885PKM 3665/4885MEN1 551/4885
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PSMA7, PSMA4, IL4 TDP1 3628/4885PKM 1828/4885MEN1 71/4885

“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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