SCHEMBL24409891

SCHEMBL24409891

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C)C(C)(C)C)C(=O)N[C@H](CCC(=O)OC(C)(C)C)C(O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 1/20 0.37
▸ KMT2A Q03164 4/20 0.34
▸ MEN1 O00255 3/20 0.34
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL20732486 0.88 TUBB1 (0.38) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22069906 0.83 CMA1 (0.41) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22069908 0.82 TUBB1 (0.54) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL20732484 0.82 TUBB1 (0.54) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL22069907 0.82 TUBB1 (0.54) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL57624 0.81 KMT2A (0.43) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL13681963 0.81 KMT2A (0.43) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL15430023 0.74 TUBB1 (0.41) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL13682373 0.74 TUBB1 (0.41) TUBB1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL59619 0.74 TUBB1 (0.41) TUBB1KMT2AMEN1POLBSMN1; SMN2

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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-05-12 — — 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-20220144889-A1 Hemiasterlin Derivative Having Cysteine Residue SHBG, CYP11A1, CYP11B1 TUBB1 1472/4885KMT2A 3110/4885MEN1 579/4885

“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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