SCHEMBL19409062

SCHEMBL19409062

O=C1N[C@H]2[C@H](CS[C@H]2CCCCCNCCCOCCOCCOCCCNCCCC(=O)C(=O)O)N1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.56
▸ PKM P14618 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ ABL1 P00519 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ IDE P14735 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ RIN1 Q13671 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ HLCS P50747 5/20 0.52
▸ F2 P00734 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ TPSAB1 Q15661 1/20 0.51
▸ FOLH1 Q04609 2/20 0.50
▸ PLCD1 P51178 1/20 0.46
▸ CA12 O43570 3/20 0.45
▸ CA1 P00915 3/20 0.45

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
SCHEMBL13225457 0.85 TDP1 (0.60) TDP1PKMMEN1ABL1LMNA
SCHEMBL13167087 0.83 TDP1 (0.55) TDP1PKMMEN1ABL1LMNA
SCHEMBL2607879 0.83 TDP1 (0.58) TDP1PKMMEN1ABL1LMNA
SCHEMBL420464 0.81 TDP1 (0.72) TDP1PKMMEN1ABL1LMNA
SCHEMBL22769273 0.81 FOLH1 (0.69) TDP1PKMMEN1ABL1LMNA
SCHEMBL2359254 0.81 HLCS (0.65) TDP1PKMMEN1ABL1LMNA
SCHEMBL12410184 0.81 HLCS (0.53) TDP1PKMMEN1ABL1LMNA
SCHEMBL2359251 0.80 HLCS (0.56) TDP1PKMMEN1ABL1LMNA
SCHEMBL903553 0.80 TDP1 (0.83) TDP1PKMMEN1ABL1LMNA
SCHEMBL2607878 0.79 TDP1 (0.53) 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-20170283430-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE JANSSEN PHARMACEUTICA NV (BE) 2017-10-05 — — 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-20170283430-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE AND METHOD OF THEIR USE ABL1, BTK, LYN TDP1 239/4885PKM 1330/4885MEN1 2524/4885

“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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