SCHEMBL14524596

SCHEMBL14524596

C=C1N[C@@H]2CSC(CCCCC(=O)NCCCC[C@H](C)C(N)=O)[C@@H]2N1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.59
▸ CAPN1 P07384 2/20 0.47
▸ CNR1 P21554 3/20 0.46
▸ CA12 O43570 2/20 0.46
▸ CA1 P00915 2/20 0.46
▸ CA2 P00918 2/20 0.46
▸ CA9 Q16790 2/20 0.46
▸ FOLH1 Q04609 2/20 0.46
▸ ITGB1 P05556 1/20 0.43
▸ ITGA4 P13612 1/20 0.43
▸ CNR2 P34972 2/20 0.43
▸ PLCD1 P51178 1/20 0.43
▸ F2 P00734 1/20 0.42
▸ PRSS1 P07477 1/20 0.42
▸ PRSS2 P07478 1/20 0.42
▸ PRSS3 P35030 1/20 0.42
▸ TPSAB1 Q15661 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ABL1 P00519 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL16315922 0.89 TDP1 (0.74) TDP1CAPN1CNR1CA12CA1
SCHEMBL14524616 0.89 TDP1 (0.74) TDP1CAPN1CNR1CA12CA1
SCHEMBL13954240 0.86 TDP1 (0.57) TDP1CAPN1CNR1CA12CA1
SCHEMBL26553940 0.85 TDP1 (0.56) TDP1CAPN1CNR1CA12CA1
SCHEMBL15277505 0.83 TDP1 (0.54) TDP1CAPN1CNR1CA12CA1
SCHEMBL15277476 0.83 TDP1 (0.54) TDP1CAPN1CNR1CA12CA1
SCHEMBL21371220 0.83 TDP1 (0.53) TDP1CAPN1CNR1CA12CA1
SCHEMBL12387476 0.82 TDP1 (0.53) TDP1CAPN1CNR1CA12CA1
SCHEMBL13367527 0.81 TDP1 (0.80) TDP1CAPN1CNR1CA12CA1
SCHEMBL14224839 0.79 TDP1 (0.58) TDP1CAPN1CA12CA1CA2

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-20070087972-A1 Prion-specific peptoid reagents NOVARTIS AG (CH) 2007-04-19 — — 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-20070087972-A1 Prion-specific peptoid reagents PRNP, PARL, PCNP TDP1 1545/4885CAPN1 816/4885CNR1 2926/4885

“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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