SCHEMBL22315892

SCHEMBL22315892

CNC(C(=O)NC(C(=O)N(C)[C@H](/C=C(\C)C(=O)N[C@H](CCC(=O)O)C(=O)O)C(C)C)C(C)(C)C)C(C)(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TUBB1 Q9H4B7 2/20 0.59
▸ HDAC1 Q13547 1/20 0.36
▸ CA2 P00918 4/20 0.33
▸ CA1 P00915 3/20 0.33
▸ FOLH1 Q04609 7/20 0.33
▸ ADAMTS4 O75173 1/20 0.33
▸ ADAMTS5 Q9UNA0 1/20 0.33
▸ CA12 O43570 1/20 0.32
▸ CA9 Q16790 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ DHFR P00374 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
SCHEMBL20739215 1.00 TUBB1 (0.59) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL20739239 1.00 TUBB1 (0.59) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL22316590 1.00 TUBB1 (0.59) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL22283980 0.94 TUBB1 (0.62) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL30779240 0.94 TUBB1 (0.62) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL20739123 0.94 TUBB1 (0.61) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL22315894 0.94 TUBB1 (0.61) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL22283982 0.94 TUBB1 (0.61) TUBB1HDAC1CA2CA1FOLH1
SCHEMBL24575157 0.93 TUBB1 (0.60) TUBB1HDAC1FOLH1ADAMTS4ADAMTS5
SCHEMBL22316491 0.93 TUBB1 (0.60) TUBB1HDAC1FOLH1ADAMTS4ADAMTS5

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 436/4885HDAC1 768/4885CA2 3688/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA TUBB1 436/4885HDAC1 768/4885CA2 3688/4885

“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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