SCHEMBL22315422

SCHEMBL22315422

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.32
▸ OPRD1 P41143 5/20 0.32
▸ CCKBR P32239 4/20 0.32
▸ CCKAR P32238 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CASP1 P29466 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ CASP2 P42575 1/20 0.30
▸ CASP4 P49662 1/20 0.30
▸ CASP5 P51878 1/20 0.30
▸ CASP7 P55210 1/20 0.30
▸ CASP9 P55211 1/20 0.30
▸ CASP8 Q14790 1/20 0.30
▸ CASP10 Q92851 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP8 P22894 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
SCHEMBL22315419 1.00 TUBB1 (0.46) TUBB1KDM4EOPRD1CCKBRCCKAR
SCHEMBL22316490 0.98 TUBB1 (0.48) TUBB1KDM4EOPRD1CCKBRCCKAR
SCHEMBL22315954 0.98 TUBB1 (0.48) TUBB1KDM4EOPRD1CCKBRCCKAR
SCHEMBL24574524 0.98 TUBB1 (0.48) TUBB1KDM4EOPRD1CCKBRCCKAR
SCHEMBL22315956 0.92 TUBB1 (0.47) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL22316494 0.92 TUBB1 (0.47) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL20739070 0.92 TUBB1 (0.49) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL22315439 0.92 TUBB1 (0.49) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL20738990 0.91 TUBB1 (0.48) TUBB1ALDH1A1SMN1; SMN2
SCHEMBL22316580 0.91 TUBB1 (0.48) TUBB1ALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same Sumitomo Pharma Co., Ltd. (JP) 2024-06-25 — — US disclosed
US-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2020-08-06 — — 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 (2 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-20200247845-A1 Hemiasterlin Derivatives and Antibody-Drug Conjugates Including Same FCGRT, QARS1, INHA TUBB1 436/4885KDM4E 574/4885OPRD1 1657/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA TUBB1 436/4885KDM4E 574/4885OPRD1 1657/4885

“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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