SCHEMBL19803917

SCHEMBL19803917

O=C(O)CCOCCOCCOCCOCCCC(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 6/20 0.72
▸ PKM P14618 2/20 0.72
▸ MEN1 O00255 1/20 0.72
▸ ABL1 P00519 1/20 0.72
▸ LMNA P02545 1/20 0.72
▸ IDE P14735 1/20 0.72
▸ MAPK1 P28482 1/20 0.72
▸ KMT2A Q03164 1/20 0.72
▸ RIN1 Q13671 1/20 0.72
▸ L3MBTL1 Q9Y468 1/20 0.72
▸ FOLH1 Q04609 4/20 0.56
▸ HLCS P50747 6/20 0.54
▸ F2 P00734 1/20 0.50
▸ PRSS1 P07477 1/20 0.50
▸ PRSS2 P07478 1/20 0.50
▸ PRSS3 P35030 1/20 0.50
▸ TPSAB1 Q15661 1/20 0.50
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46

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
SCHEMBL19608935 0.90 TDP1 (0.73) TDP1PKMMEN1ABL1LMNA
SCHEMBL903553 0.89 TDP1 (0.83) TDP1PKMMEN1ABL1LMNA
SCHEMBL21422293 0.88 TDP1 (0.70) TDP1PKMMEN1ABL1LMNA
SCHEMBL7233545 0.87 TDP1 (0.90) TDP1PKMMEN1ABL1LMNA
SCHEMBL2915470 0.87 TDP1 (0.63) TDP1PKMMEN1ABL1LMNA
SCHEMBL30504309 0.86 FOLH1 (0.70) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL4461484 0.86 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL2107780 0.86 TDP1 (0.79) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL30842797 0.86 TDP1 (0.97) TDP1PKMMEN1ABL1LMNA
Biotin SCHEMBL7847236 0.86 TDP1 (0.97) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180022778-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES PROTAGONIST THERAPEUTICS, INC. 2018-01-25 — — 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-20180022778-A1 ORAL PEPTIDE INHIBITORS OF INTERLEUKIN-23 RECEPTOR AND THEIR USE TO TREAT INFLAMMATORY BOWEL DISEASES IL23R, IL1RN, VIP TDP1 4555/4885PKM 4594/4885MEN1 3683/4885

“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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