SCHEMBL17746958

SCHEMBL17746958

CCCCCCCCCCCCCCCC(=O)NC(CCN=[N+]=[N-])C(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOD1 Q9Y239 6/20 0.48
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ FAAH O00519 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ LPAR3 Q9UBY5 4/20 0.44
▸ LPAR1 Q92633 2/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PLA2G2C Q5R387 1/20 0.42
▸ DNM1 Q05193 1/20 0.41

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
SCHEMBL17746954 1.00 NOD1 (0.48) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL17747010 0.90 KMT2A (0.44) NOD1KMT2APOLBPLA2G2C
SCHEMBL17747023 0.90 KMT2A (0.44) NOD1KMT2APOLBPLA2G2C
SCHEMBL20009636 0.89 KMT2A (0.39) NOD1KMT2APOLB
SCHEMBL17746989 0.86 NOD1 (0.65) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL17746988 0.86 NOD1 (0.65) NOD1KMT2AMEN1FAAHMAPK1
SCHEMBL17747020 0.84 HDAC8 (0.43) KMT2APOLB
SCHEMBL17746994 0.84 HDAC8 (0.43) KMT2APOLB
SCHEMBL17747018 0.84 HDAC8 (0.43) KMT2APOLB
SCHEMBL17746996 0.84 HDAC8 (0.43) KMT2APOLB

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 14 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
CN-114652813-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-06-24 — — CN disclosed
US-11358988-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2022-06-14 — — US disclosed
CN-107108698-B Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2022-04-29 — — CN 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 NOD1 447/4885KMT2A 3513/4885MEN1 3462/4885
US-20160137696-A1 Immunomodulators CD74, ICOS, HAVCR2 NOD1 447/4885KMT2A 3513/4885MEN1 3462/4885
US-20230101323-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NOD1 447/4885KMT2A 3513/4885MEN1 3462/4885
US-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 NOD1 447/4885KMT2A 3513/4885MEN1 3462/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 NOD1 447/4885KMT2A 3513/4885MEN1 3462/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NOD1 447/4885KMT2A 3513/4885MEN1 3462/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 NOD1 447/4885KMT2A 3513/4885MEN1 3462/4885

“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.

Send feedback