SCHEMBL26585156

SCHEMBL26585156

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 5/20 0.56
▸ CA12 O43570 2/20 0.51
▸ CA1 P00915 2/20 0.51
▸ CA2 P00918 2/20 0.51
▸ CA9 Q16790 2/20 0.51
▸ F2 P00734 1/20 0.51
▸ PRSS1 P07477 1/20 0.51
▸ PRSS2 P07478 1/20 0.51
▸ PRSS3 P35030 1/20 0.51
▸ TPSAB1 Q15661 1/20 0.51
▸ FOLH1 Q04609 2/20 0.50
▸ CNR1 P21554 2/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ PKM P14618 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ ABL1 P00519 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ IDE P14735 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ KMT2A Q03164 1/20 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
SCHEMBL21524659 0.88 TDP1 (0.58) TDP1CA12CA1CA2CA9
SCHEMBL24067574 0.87 TDP1 (0.55) TDP1CA12CA1CA2CA9
SCHEMBL21524702 0.86 TDP1 (0.56) TDP1CA12CA1CA2CA9
SCHEMBL18736958 0.86 TDP1 (0.61) TDP1CA12CA1CA2CA9
SCHEMBL23571711 0.86 TDP1 (0.61) TDP1CA12CA1CA2CA9
SCHEMBL17662507 0.86 TDP1 (0.61) TDP1CA12CA1CA2CA9
SCHEMBL19772947 0.86 TDP1 (0.61) TDP1CA12CA1CA2CA9
SCHEMBL23072588 0.86 TDP1 (0.52) TDP1CA12CA1CA2CA9
SCHEMBL20998567 0.86 TDP1 (0.52) TDP1CA12CA1CA2CA9
SCHEMBL18612885 0.85 TDP1 (0.55) TDP1CA12CA1CA2CA9

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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF DANA FARBER CANCER INST INC (US) 2023-09-21 — — 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-20230295137-A1 COVALENT EGFR INHIBITORS AND METHODS OF USE THEREOF EGFR, ERBB2, ERBB3 TDP1 1647/4885CA12 2051/4885CA1 3193/4885

“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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