SCHEMBL24410055

SCHEMBL24410055

C/C(=C\[C@H](C(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H]1CCCCN1C(C)C)C(C)(C)C)C(=O)N[C@H](CCC(=O)NCCN1C(=O)CC(SC[C@H](N)C(=O)O)C1=O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 9/20 0.35
▸ TUBB1 Q9H4B7 1/20 0.32
▸ KIF11 P52732 2/20 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
SCHEMBL24410056 1.00 FOLH1 (0.35) FOLH1TUBB1KIF11
SCHEMBL24410068 0.86 FOLH1 (0.37) FOLH1TUBB1
SCHEMBL24410063 0.86 FOLH1 (0.37) FOLH1TUBB1
SCHEMBL24409889 0.86 TUBB1 (0.50) FOLH1TUBB1KIF11
SCHEMBL24409890 0.86 TUBB1 (0.50) FOLH1TUBB1KIF11
SCHEMBL20732462 0.85 TUBB1 (0.36) TUBB1
SCHEMBL22309342 0.85 TUBB1 (0.36) TUBB1
SCHEMBL24410073 0.83 FOLH1 (0.37) FOLH1TUBB1KIF11
SCHEMBL24114996 0.83 FOLH1 (0.37) FOLH1TUBB1KIF11
SCHEMBL24574539 0.83 TUBB1 (0.42) FOLH1TUBB1

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 FOLH1 2813/4885TUBB1 1472/4885KIF11 4792/4885

“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.

Send feedback