SCHEMBL20009571

SCHEMBL20009571

COC(=O)[C@H](CCN=[N+]=[N-])NC(=O)CCC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KLK5 Q9Y337 1/20 0.32
▸ ACE P12821 1/20 0.32
▸ HDAC2 Q92769 1/20 0.30
▸ CNR1 P21554 1/20 0.30
▸ CNR2 P34972 1/20 0.30
▸ STING1 Q86WV6 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
SCHEMBL17747018 0.92 HDAC8 (0.43) HDAC8KMT2APOLB
SCHEMBL17747020 0.92 HDAC8 (0.43) HDAC8KMT2APOLB
SCHEMBL17746996 0.92 HDAC8 (0.43) HDAC8KMT2APOLB
SCHEMBL17746994 0.92 HDAC8 (0.43) HDAC8KMT2APOLB
SCHEMBL20009696 0.89 ACE (0.40) HDAC8KMT2AACE
SCHEMBL17747017 0.83 CTSK (0.40) KLK5
SCHEMBL17747019 0.83 CTSK (0.40) KLK5
SCHEMBL20009636 0.81 KMT2A (0.39) KMT2APOLBL3MBTL1HDAC2
SCHEMBL17746956 0.81 NOD1 (0.44) HDAC8KMT2AACE
SCHEMBL17746953 0.81 NOD1 (0.44) HDAC8KMT2AACE

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 — — US disclosed
US-20200216498-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-09 — — US disclosed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — 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 (3 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-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 HDAC8 1176/4885KMT2A 3513/4885POLB 2800/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 HDAC8 1176/4885KMT2A 3513/4885POLB 2800/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 HDAC8 1176/4885KMT2A 3513/4885POLB 2800/4885

“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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