SCHEMBL22316531

SCHEMBL22316531

CC(C)(C)NCCCC[C@@H](NC(=O)CC[C@@H](NC(C)(C)C)C(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 9/20 0.51
▸ FOLH1 Q04609 2/20 0.45
▸ GNPAT O15228 1/20 0.42
▸ GLP1R P43220 6/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40

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
SCHEMBL13884310 0.88 FOLH1 (0.40) NOD1FOLH1
SCHEMBL22872323 0.83 FOLH1 (0.52) FOLH1GNPAT
SCHEMBL29324448 0.83 FOLH1 (0.55) NOD1FOLH1GNPAT
SCHEMBL9696078 0.83 FOLH1 (0.55) NOD1FOLH1GNPAT
SCHEMBL9697168 0.83 FOLH1 (0.55) NOD1FOLH1GNPAT
SCHEMBL18272834 0.82 FOLH1 (0.40) NOD1FOLH1GNPATSLC6A5
SCHEMBL24123152 0.81 FOLH1 (0.68) FOLH1
SCHEMBL9912229 0.81 FOLH1 (0.68) FOLH1
SCHEMBL18253629 0.81 FOLH1 (0.68) FOLH1
SCHEMBL22308518 0.81 NOD1 (0.48) NOD1FOLH1GNPATSLC6A5

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 NOD1 4582/4885FOLH1 4072/4885GNPAT 2423/4885
US-12018093-B2 Hemiasterlin derivatives and antibody-drug conjugates including same FCGRT, QARS1, INHA NOD1 4582/4885FOLH1 4072/4885GNPAT 2423/4885

“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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