SCHEMBL11974139

SCHEMBL11974139

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.36
▸ CNR1 P21554 3/20 0.35
▸ FOLH1 Q04609 5/20 0.34
▸ FLI1 Q01543 1/20 0.32
▸ EWSR1 Q01844 1/20 0.32
▸ CNR2 P34972 2/20 0.32
▸ F2 P00734 1/20 0.32
▸ PRSS1 P07477 1/20 0.32
▸ PRSS2 P07478 1/20 0.32
▸ PRSS3 P35030 1/20 0.32
▸ TPSAB1 Q15661 1/20 0.32
▸ CAPN1 P07384 2/20 0.30

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
SCHEMBL21361152 0.91 TDP1 (0.42) TDP1CNR1FOLH1CNR2PRSS1
SCHEMBL11974137 0.86 TDP1 (0.35) TDP1CNR1FOLH1FLI1EWSR1
SCHEMBL21361159 0.85 TDP1 (0.55) TDP1CNR1FOLH1FLI1EWSR1
SCHEMBL11974147 0.81 TDP1 (0.33) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL11974149 0.76 FOLH1 (0.34) TDP1FOLH1F2PRSS1PRSS2
SCHEMBL21361154 0.74 TDP1 (0.50) TDP1CNR1FOLH1CNR2F2
SCHEMBL11983829 0.73 TDP1 (0.42) TDP1CNR1FOLH1CNR2F2
SCHEMBL11983709 0.72 CNR1 (0.43) TDP1CNR1FOLH1CNR2F2
SCHEMBL21390226 0.72 TDP1 (0.44) TDP1F2PRSS1PRSS2PRSS3
SCHEMBL21361160 0.72 TDP1 (0.53) TDP1CNR1FOLH1FLI1EWSR1

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-20120207684-A1 COMPOSITION AND METHODS FOR IMAGING CELLS CASE WESTERN RESERVE UNIVERSITY 2012-08-16 — — US disclosed
US-20120207684-A1 COMPOSITION AND METHODS FOR IMAGING CELLS CASE WESTERN RESERVE UNIVERSITY 2012-08-16 — — 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 (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-20120207684-A1 COMPOSITION AND METHODS FOR IMAGING CELLS MCL1, TP53, HNRNPAB TDP1 3017/4885CNR1 2138/4885FOLH1 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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