SCHEMBL19410159

SCHEMBL19410159

COc1ccc2c(c1)c(C[C@H](NC(=O)OCc1ccccc1)C(=O)O)cn2CC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 2/20 0.47
▸ ITGB3 P05106 4/20 0.45
▸ ITGA2B P08514 4/20 0.45
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ ADAM17 P78536 3/20 0.44
▸ ACE P12821 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PTPN1 P18031 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ PPARD Q03181 1/20 0.42
▸ PPARA Q07869 1/20 0.42
▸ ATM Q13315 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
SCHEMBL19410161 1.00 PLA2G2A (0.47) PLA2G2AITGB3ITGA2BMTNR1AMTNR1B
SCHEMBL19420834 0.95 PLA2G2A (0.47) PLA2G2AMTNR1AMTNR1BADAM17PPARG
SCHEMBL31189242 0.95 PLA2G2A (0.47) PLA2G2AMTNR1AMTNR1BADAM17PPARG
SCHEMBL7439119 0.89 ITGB3 (0.45) ITGB3ITGA2BACEPPARA
SCHEMBL17596477 0.89 ITGB3 (0.45) ITGB3ITGA2BACEPPARA
SCHEMBL30343682 0.89 ITGB3 (0.45) ITGB3ITGA2BACEPPARA
SCHEMBL19410190 0.86 MDM2 (0.47) PLA2G2AADAM17
SCHEMBL19410191 0.86 MDM2 (0.47) PLA2G2AADAM17
SCHEMBL25240561 0.84 TACR1 (0.47) —
SCHEMBL19340443 0.84 TACR1 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2021-07-20 — — US disclosed
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2020-06-04 — — US disclosed
EP-3642220-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 Bristol-Myers Squibb Company (US) 2020-04-29 — — EP disclosed
US-10358463-B2 Immunomodulators BRISTOL-MYERS SQUIBB COMPANY (US) 2019-07-23 — — US disclosed
EP-3440097-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2019-02-13 — — EP disclosed
WO-2018237153-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 BRISTOL-MYERS SQUIBB COMPANY (US) 2018-12-27 — — WO disclosed
WO-2017176608-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-12 — — WO disclosed
US-20170283463-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY 2017-10-05 — — 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 (4 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-20170283463-A1 IMMUNOMODULATORS CD274, PDCD1, PDCD1LG2 PLA2G2A 2631/4885ITGB3 3764/4885ITGA2B 3218/4885
US-10358463-B2 Immunomodulators CD274, PDCD1, PDCD1LG2 PLA2G2A 2631/4885ITGB3 3764/4885ITGA2B 3218/4885
US-20200172578-A1 IMMUNOMODULATORS ACTING AS ANTAGONISTS OF PD-1 CD274, PDCD1, PDCD1LG2 PLA2G2A 3769/4885ITGB3 3399/4885ITGA2B 3276/4885
US-11066445-B2 Immunomodulators acting as antagonists of PD-1 CD274, PDCD1, PDCD1LG2 PLA2G2A 2963/4885ITGB3 3481/4885ITGA2B 3223/4885

“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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