SCHEMBL16100914

SCHEMBL16100914

O=C(NC(Cc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MDM4 O15151 3/20 0.54
▸ TP53 P04637 3/20 0.54
▸ MDM2 Q00987 7/20 0.49
▸ CASP3 P42574 2/20 0.45
▸ SLC17A5 Q9NRA2 1/20 0.44
▸ TLR2 O60603 1/20 0.42

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
SCHEMBL16100911 1.00 MDM4 (0.54) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL16101218 0.94 MDM2 (0.49) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL16101216 0.94 MDM2 (0.49) MDM4TP53MDM2CASP3SLC17A5
SCHEMBL16100941 0.93 MDM2 (0.57) MDM4TP53MDM2CASP3
SCHEMBL16100943 0.93 MDM2 (0.57) MDM4TP53MDM2CASP3
SCHEMBL16107867 0.91 MDM2 (0.48) MDM4TP53MDM2CASP3TLR2
SCHEMBL16107869 0.91 MDM2 (0.48) MDM4TP53MDM2CASP3TLR2
SCHEMBL16100962 0.90 MDM2 (0.46) MDM4TP53MDM2CASP3TLR2
SCHEMBL16100965 0.90 MDM2 (0.46) MDM4TP53MDM2CASP3TLR2
SCHEMBL16100971 0.90 MDM2 (0.49) MDM4TP53MDM2CASP3SLC17A5

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
EP-3626732-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2020-03-25 — — EP disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 — — EP disclosed
EP-2970390-B1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2019-11-06 — — EP disclosed
US-9879046-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2018-01-30 — — US disclosed
US-20170369530-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2017-12-28 — — US disclosed
US-9850283-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2017-12-26 — — US disclosed
US-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions BRISTOL MYERS SQUIBB CO (US) 2016-11-24 — — US disclosed
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL MYERS SQUIBB CO (US) 2016-06-09 — — US disclosed
US-9308236-B2 Macrocyclic inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 protein/protein interactions BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-12 — — US disclosed
EP-2970390-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS Bristol-Myers Squibb Company (US) 2016-01-20 — — EP disclosed
US-20140294898-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY 2014-10-02 — — US disclosed
WO-2014151634-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-09-25 — — WO 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-20140294898-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 MDM4 550/4885TP53 100/4885MDM2 768/4885
US-20170369530-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 MDM4 550/4885TP53 100/4885MDM2 768/4885
US-20160340391-A1 Macrocyclic Inhibitors of the PD-1/PD-L1 and CD80(B7-1)/PD-L1 Protein/Protein Interactions CD274, PDCD1, PDCD1LG2 MDM4 550/4885TP53 100/4885MDM2 768/4885
US-20160158349-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 MDM4 550/4885TP53 100/4885MDM2 768/4885

“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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