SCHEMBL24311830

SCHEMBL24311830

CC(C)(C)OC(=O)N[C@H](CCO)CCCO

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.49
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ CA7 P43166 1/20 0.44
▸ KMT2A Q03164 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CTSK P43235 10/20 0.42
▸ CTSS P25774 2/20 0.40
▸ ATM Q13315 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40

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
SCHEMBL3735437 0.93 CA1 (0.49) TDP1CA1CA2CA7KMT2A
SCHEMBL28531113 0.90 CTSK (0.54) CTSKCTSS
SCHEMBL8288056 0.90 CTSK (0.47) TDP1CA1CA2CA7KMT2A
SCHEMBL15469705 0.90 CTSK (0.54) CTSKCTSS
SCHEMBL2296899 0.90 TDP1 (0.49) TDP1CA1CA2CA7KMT2A
SCHEMBL2296898 0.90 TDP1 (0.49) TDP1CA1CA2CA7KMT2A
SCHEMBL28323890 0.90 TDP1 (0.49) TDP1CA1CA2CA7KMT2A
SCHEMBL19337851 0.88 TDP1 (0.47) TDP1CA1CA2CA7KMT2A
SCHEMBL26799152 0.88 TDP1 (0.47) TDP1CA1CA2CA7KMT2A
SCHEMBL21660257 0.86 CTSK (0.49) TDP1CA1CA2CA7CTSK

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-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES DAIICHI SANKYO COMPANY, LIMITED (JP) 2022-04-07 — — 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-20220106324-A1 DISPIROPYRROLIDINE DERIVATIVES MDM2, TP53, TP53BP1 TDP1 1524/4885CA1 2818/4885CA2 2729/4885

“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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