SCHEMBL17747017

SCHEMBL17747017

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 11/20 0.40
▸ CTSS P25774 7/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CA12 O43570 1/20 0.38
▸ CA14 Q9ULX7 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ NFKB1 P19838 2/20 0.38
▸ NFKB2 Q00653 2/20 0.38
▸ RELA Q04206 2/20 0.38
▸ CTSL P07711 2/20 0.37
▸ KLK5 Q9Y337 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ GSTP1 P09211 1/20 0.35
▸ GSTM2 P28161 1/20 0.35

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
SCHEMBL17747019 1.00 CTSK (0.40) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL31240095 0.87 CYP1A2 (0.40) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL21437807 0.87 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL16938192 0.87 CTSK (0.41) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL19326572 0.87 CYP1A2 (0.40) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL17080907 0.87 CYP1A2 (0.40) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL15451952 0.87 CTSK (0.44) CTSKCTSSCA1CA2CA7
SCHEMBL15527500 0.83 CAPN1 (0.43) CTSKCTSSCYP1A2CYP2C9CYP2C19
SCHEMBL20009571 0.83 HDAC8 (0.35) KLK5
SCHEMBL23975773 0.82 CTSK (0.38) CTSKCTSSCYP1A2CYP2C9CYP2C19

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 15 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
CN-107108698-A Macrocyclic peptides as immunomodulators 百时美施贵宝公司 2017-08-29 — — CN 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 CTSK 2241/4885CTSS 2358/4885CYP1A2 3840/4885
US-20160137696-A1 Immunomodulators CD74, ICOS, HAVCR2 CTSK 2241/4885CTSS 2358/4885CYP1A2 3840/4885
US-20230101323-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CTSK 2241/4885CTSS 2358/4885CYP1A2 3840/4885
US-10633419-B2 Immunomodulators CD74, ICOS, HAVCR2 CTSK 2241/4885CTSS 2358/4885CYP1A2 3840/4885
US-11358988-B2 Immunomodulators CD74, ICOS, HAVCR2 CTSK 2241/4885CTSS 2358/4885CYP1A2 3840/4885
US-20180086793-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CTSK 2241/4885CTSS 2358/4885CYP1A2 3840/4885
US-20200216498-A1 IMMUNOMODULATORS CD74, ICOS, HAVCR2 CTSK 2241/4885CTSS 2358/4885CYP1A2 3840/4885

“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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