SCHEMBL31043293

SCHEMBL31043293

CCOC(=O)[C@H](CCc1nc2cc(N(CCCl)CCCl)ccc2n1C)NC(=O)[C@H](Cc1ccc(F)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.47
▸ HDAC4 P56524 2/20 0.47
▸ HDAC1 Q13547 2/20 0.47
▸ HDAC2 Q92769 2/20 0.47
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 2/20 0.47
▸ HDAC5 Q9UQL6 2/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ HDAC10 Q969S8 1/20 0.47
▸ CTSS P25774 2/20 0.41
▸ CTSK P43235 2/20 0.41
▸ SCN9A Q15858 5/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ GNRHR P30968 1/20 0.35
▸ P2RX3 P56373 1/20 0.35
▸ KCNQ4 P56696 2/20 0.35
▸ KCNQ5 Q9NR82 2/20 0.35
▸ PTPN1 P18031 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL30138478 0.97 HDAC6 (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138549 0.96 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL24754847 0.96 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138539 0.95 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138520 0.95 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138500 0.94 CTSS (0.42) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138528 0.91 CTSS (0.40) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138506 0.91 HDAC6 (0.54) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29184777 0.89 HDAC3 (0.47) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL30138501 0.89 CTSS (0.44) HDAC3HDAC4HDAC1HDAC2HDAC8

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-20240316059-A1 PEPTIDE DRUG CONJUGATES ONCOPEPTIDES AB (SE) 2024-09-26 — — 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-20240316059-A1 PEPTIDE DRUG CONJUGATES MCL1, DNPEP, VIP HDAC3 2573/4885HDAC4 1544/4885HDAC1 2830/4885

“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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