SCHEMBL17747010

SCHEMBL17747010

COC(=O)C(CCN=[N+]=[N-])NC(=O)CCCCCCCCCCCCCCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.44
▸ HDAC1 Q13547 6/20 0.41
▸ HDAC6 Q9UBN7 6/20 0.41
▸ NOD1 Q9Y239 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PLA2G2C Q5R387 1/20 0.39

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
SCHEMBL17747023 1.00 KMT2A (0.44) KMT2AHDAC1HDAC6NOD1POLB
SCHEMBL17746958 0.90 NOD1 (0.48) KMT2ANOD1POLBPLA2G2C
SCHEMBL17746954 0.90 NOD1 (0.48) KMT2ANOD1POLBPLA2G2C
SCHEMBL17746981 0.86 NOD1 (0.49) NOD1PLA2G2C
SCHEMBL26113216 0.86 NOD1 (0.49) NOD1PLA2G2C
SCHEMBL17746979 0.86 NOD1 (0.49) NOD1PLA2G2C
SCHEMBL17746969 0.86 NOD1 (0.49) NOD1PLA2G2C
SCHEMBL17746971 0.86 NOD1 (0.49) NOD1PLA2G2C
SCHEMBL17747018 0.84 HDAC8 (0.43) KMT2AHDAC1HDAC6POLB
SCHEMBL17747020 0.84 HDAC8 (0.43) KMT2AHDAC1HDAC6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952434-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2024-04-09 — — US disclosed
US-20230101323-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-03-30 — — US disclosed
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 — — US disclosed
EP-3778622-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2021-02-17 — — EP disclosed
EP-3218392-B1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2020-07-29 — — EP disclosed
US-20200216498-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-07-09 — — US disclosed
US-10633419-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2020-04-28 — — US disclosed
US-20180086793-A1 IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2018-03-29 — — US disclosed
US-9856292-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-02 — — US disclosed
EP-3218392-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS Bristol-Myers Squibb Company (US) 2017-09-20 — — EP disclosed
WO-2016077518-A1 MACROCYCLIC PEPTIDES USEFUL AS IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-05-19 — — WO disclosed
US-20160137696-A1 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY 2016-05-19 — — 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 (7 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-11952434-B2 Immunomodulators CD74, ICOS, HAVCR2 KMT2A 3513/4885HDAC1 1460/4885HDAC6 637/4885
US-20160137696-A1 Immunomodulators CD74, ICOS, HAVCR2 KMT2A 3513/4885HDAC1 1460/4885HDAC6 637/4885
US-20230101323-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 KMT2A 3513/4885HDAC1 1460/4885HDAC6 637/4885
US-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 KMT2A 3513/4885HDAC1 1460/4885HDAC6 637/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 KMT2A 3513/4885HDAC1 1460/4885HDAC6 637/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 KMT2A 3513/4885HDAC1 1460/4885HDAC6 637/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 KMT2A 3513/4885HDAC1 1460/4885HDAC6 637/4885

“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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