SCHEMBL27233233

SCHEMBL27233233

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

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 4/20 0.69
▸ FOLH1 Q04609 8/20 0.64
▸ CAPN1 P07384 2/20 0.54
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ MEN1 O00255 1/20 0.50
▸ ABL1 P00519 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ IDE P14735 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ RIN1 Q13671 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CNR1 P21554 2/20 0.48

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
SCHEMBL27233227 1.00 TDP1 (0.69) TDP1FOLH1CAPN1CA12CA1
SCHEMBL29928558 0.94 TDP1 (0.75) TDP1FOLH1CAPN1CA12CA1
SCHEMBL9807479 0.90 TDP1 (0.77) TDP1FOLH1CAPN1CA12CA1
SCHEMBL10044328 0.89 TDP1 (0.72) TDP1FOLH1CAPN1CA12CA1
SCHEMBL12809811 0.88 TDP1 (0.73) TDP1FOLH1CAPN1CA12CA1
SCHEMBL10308270 0.85 TDP1 (0.74) TDP1FOLH1CAPN1CA12CA1
SCHEMBL21110496 0.85 TDP1 (0.51) TDP1FOLH1CAPN1CNR1
SCHEMBL29744917 0.85 TDP1 (0.62) TDP1FOLH1CAPN1CA12CA1
SCHEMBL13227941 0.84 TDP1 (0.67) TDP1FOLH1CAPN1CA12CA1
SCHEMBL29512013 0.84 TDP1 (0.63) TDP1FOLH1CAPN1CA12CA1

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-20240409524-A1 COMPOUND HAVING PHOTOCLEAVABLE MOIETY, CONJUGATE, AND SCREENING METHOD USING SAME CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-12-12 — — US disclosed
EP-4378944-A1 COMPOUND HAVING PHOTOCLEAVABLE SITE, LINKER, AND SCREENING METHOD USING SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-06-05 — — EP 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-20240409524-A1 COMPOUND HAVING PHOTOCLEAVABLE MOIETY, CONJUGATE, AND SCREENING METHOD USING SAME ALDH1A2, FOLH1, TACR1 TDP1 3353/4885FOLH1 2/4885CAPN1 2886/4885

“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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