SCHEMBL26438959

SCHEMBL26438959

CC(CNC(=O)C(CCC(=O)NCC(O)C(O)C(O)[C@H](O)CO)NC(C)(C)C)C(O)C(C)[C@H](O)CO

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GPBAR1 Q8TDU6 1/20 0.32
▸ KDM4E B2RXH2 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
SCHEMBL27104562 0.91 KDM4E (0.37) GPBAR1KDM4E
SCHEMBL20224390 0.91 KDM4E (0.37) GPBAR1KDM4E
SCHEMBL25000728 0.85 KDM4E (0.31) GPBAR1KDM4E
SCHEMBL27104564 0.81 KDM4E (0.37) GPBAR1KDM4E
SCHEMBL27422042 0.81 ALDH1A1 (0.32) —
SCHEMBL20224695 0.80 GPBAR1 (0.33) GPBAR1KDM4E
SCHEMBL25604120 0.80 KDM4E (0.36) KDM4E
SCHEMBL25603953 0.77 KDM4E (0.38) KDM4E
SCHEMBL20224631 0.77 KDM4E (0.38) GPBAR1KDM4E
SCHEMBL26533468 0.77 KDM4E (0.43) GPBAR1KDM4E

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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates MERSANA THERAPEUTICS, INC. (US) 2023-05-02 — — 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-11638760-B2 Pyrrolobenzodiazepine antibody conjugates GABRA4, GABRA1, GABRA2 GPBAR1 149/4885KDM4E 1256/4885

“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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