SCHEMBL24409977

SCHEMBL24409977

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCCN1C(=O)CC(SC[C@H](N)C(=O)O)C1=O)C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.35
▸ KIF11 P52732 2/20 0.34
▸ FOLH1 Q04609 10/20 0.34
▸ TLR7 Q9NYK1 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
SCHEMBL24410035 1.00 TUBB1 (0.35) TUBB1KIF11FOLH1TLR7
SCHEMBL24410040 1.00 TUBB1 (0.35) TUBB1KIF11FOLH1TLR7
SCHEMBL24409975 1.00 TUBB1 (0.35) TUBB1KIF11FOLH1TLR7
SCHEMBL24410041 0.96 TUBB1 (0.36) TUBB1KIF11
SCHEMBL24410043 0.96 TUBB1 (0.36) TUBB1KIF11
SCHEMBL24410062 0.96 TUBB1 (0.36) TUBB1KIF11
SCHEMBL24410061 0.96 TUBB1 (0.36) TUBB1KIF11
SCHEMBL24410050 0.94 TUBB1 (0.35) TUBB1KIF11FOLH1TLR7
SCHEMBL24410059 0.94 TUBB1 (0.35) TUBB1KIF11FOLH1TLR7
SCHEMBL24115028 0.94 TUBB1 (0.35) TUBB1KIF11FOLH1TLR7

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 1472/4885KIF11 4792/4885FOLH1 2813/4885

“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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