SCHEMBL24179756

SCHEMBL24179756

CCCNC(=O)CCCC[C@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.69
▸ HLCS P50747 3/20 0.66
▸ PKM P14618 2/20 0.65
▸ MEN1 O00255 1/20 0.65
▸ ABL1 P00519 1/20 0.65
▸ LMNA P02545 1/20 0.65
▸ IDE P14735 1/20 0.65
▸ MAPK1 P28482 1/20 0.65
▸ KMT2A Q03164 1/20 0.65
▸ RIN1 Q13671 1/20 0.65
▸ L3MBTL1 Q9Y468 1/20 0.65
▸ CA12 O43570 3/20 0.63
▸ CA1 P00915 3/20 0.63
▸ CA2 P00918 3/20 0.63
▸ CA9 Q16790 3/20 0.63
▸ F2 P00734 1/20 0.62
▸ PRSS1 P07477 1/20 0.62
▸ PRSS2 P07478 1/20 0.62
▸ PRSS3 P35030 1/20 0.62
▸ TPSAB1 Q15661 1/20 0.62

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
SCHEMBL10036929 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL12735634 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL22560803 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL26551954 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL10063351 1.00 TDP1 (0.69) TDP1HLCSPKMMEN1ABL1
SCHEMBL17881931 0.97 TDP1 (0.71) TDP1HLCSPKMMEN1ABL1
SCHEMBL16923825 0.97 TDP1 (0.71) TDP1HLCSPKMMEN1ABL1
SCHEMBL13166618 0.96 TDP1 (0.64) TDP1HLCSPKMMEN1ABL1
SCHEMBL17128734 0.94 TDP1 (0.67) TDP1HLCSPKMMEN1ABL1
SCHEMBL12085208 0.94 TDP1 (0.70) TDP1HLCSPKMMEN1ABL1

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-11220477-B2 Modulators of the eIF2alpha pathway THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2022-01-11 — — 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-11220477-B2 Modulators of the eIF2alpha pathway EIF2AK1, EIF2A, EIF2AK3 TDP1 1505/4885HLCS 3106/4885PKM 1792/4885

“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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