SCHEMBL24360741

SCHEMBL24360741

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N[C@H](CCC(=O)NCCCC[C@H](N)C(=O)O)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.51
▸ NOD1 Q9Y239 4/20 0.33
▸ FOLH1 Q04609 2/20 0.33
▸ KIF11 P52732 1/20 0.32
▸ ALB P02768 2/20 0.31
▸ MMP1 P03956 2/20 0.31
▸ MMP3 P08254 2/20 0.31
▸ MMP9 P14780 3/20 0.31
▸ MMP8 P22894 3/20 0.31
▸ MMP2 P08253 2/20 0.31
▸ MMP12 P39900 2/20 0.31
▸ MMP14 P50281 2/20 0.31

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
SCHEMBL24360745 1.00 TUBB1 (0.51) TUBB1NOD1FOLH1KIF11ALB
SCHEMBL22309062 0.92 TUBB1 (0.57) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL20732182 0.92 TUBB1 (0.57) TUBB1MMP1MMP3MMP9MMP8
SCHEMBL20732400 0.88 TUBB1 (0.48) TUBB1FOLH1
SCHEMBL24410173 0.88 TUBB1 (0.48) TUBB1FOLH1
SCHEMBL24409949 0.87 TUBB1 (0.49) TUBB1
SCHEMBL20732390 0.87 TUBB1 (0.49) TUBB1
SCHEMBL22316491 0.86 TUBB1 (0.60) TUBB1FOLH1MMP1MMP3MMP9
SCHEMBL24575157 0.86 TUBB1 (0.60) TUBB1FOLH1MMP1MMP3MMP9
SCHEMBL22316492 0.86 TUBB1 (0.60) TUBB1FOLH1MMP1MMP3MMP9

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-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2022-04-28 — — 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-20220125941-A1 Hemiasterlin Derivative and Antibody-Drug Conjugate Thereof SHBG, HSD17B7, CYP17A1 TUBB1 802/4885NOD1 2021/4885FOLH1 1994/4885

“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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