SCHEMBL21361154

SCHEMBL21361154

COC(=O)C(CO)NC(=O)COCCOCCOCCCN(C)C(=O)CCCCC1SCC2NC(=O)NC21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.50
▸ PKM P14618 3/20 0.47
▸ FOLH1 Q04609 5/20 0.47
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ TPSAB1 Q15661 1/20 0.46
▸ MEN1 O00255 1/20 0.44
▸ ABL1 P00519 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ IDE P14735 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ RIN1 Q13671 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CNR1 P21554 2/20 0.43
▸ BTK Q06187 1/20 0.42
▸ HLCS P50747 2/20 0.41
▸ CA12 O43570 1/20 0.40

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
SCHEMBL21361159 0.89 TDP1 (0.55) TDP1PKMFOLH1F2PRSS1
SCHEMBL21361155 0.88 TDP1 (0.49) TDP1PKMFOLH1F2PRSS1
SCHEMBL21361156 0.85 TDP1 (0.64) TDP1PKMFOLH1F2PRSS1
SCHEMBL12809772 0.83 FOLH1 (0.57) TDP1PKMFOLH1F2PRSS1
SCHEMBL6972386 0.83 FOLH1 (0.57) TDP1PKMFOLH1F2PRSS1
SCHEMBL13485722 0.80 FOLH1 (0.54) TDP1PKMFOLH1F2PRSS1
SCHEMBL21361153 0.78 TDP1 (0.62) TDP1PKMFOLH1F2PRSS1
SCHEMBL20068708 0.76 TDP1 (0.65) TDP1PKMFOLH1F2PRSS1
SCHEMBL5903487 0.76 TDP1 (0.65) TDP1PKMFOLH1F2PRSS1
SCHEMBL21361160 0.76 TDP1 (0.53) TDP1PKMFOLH1F2PRSS1

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-10413621-B2 Composition and methods for imaging cells CASE WESTERN RESERVE UNIVERSITY (US) 2019-09-17 — — 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-10413621-B2 Composition and methods for imaging cells MCL1, TP53, HNRNPAB TDP1 3017/4885PKM 3706/4885FOLH1 262/4885

“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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