SCHEMBL3265534

SCHEMBL3265534

O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NMBR P28336 2/20 0.76
MAPT P10636 2/20 0.71
GAA P10253 1/20 0.71
HTT P42858 1/20 0.71
TACR1 P25103 11/20 0.70
LMNA P02545 1/20 0.69
LNPEP Q9UIQ6 1/20 0.68
IL1RN P18510 1/20 0.65
ERAP2 Q6P179 1/20 0.65
ERAP1 Q9NZ08 1/20 0.65
CASP1 P29466 1/20 0.64
SSTR1 P30872 1/20 0.63
CA2 P00918 1/20 0.62

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
SCHEMBL29401161 1.00 NMBR (0.76) NMBRMAPTGAAHTTTACR1
SCHEMBL12118582 1.00 NMBR (0.76) NMBRMAPTGAAHTTTACR1
SCHEMBL11824313 0.93 MAPT (0.72) NMBRMAPTGAAHTTTACR1
SCHEMBL10087951 0.93 TACR1 (0.71) NMBRMAPTGAAHTTTACR1
SCHEMBL17319524 0.93 NMBR (0.73) NMBRMAPTGAAHTTTACR1
SCHEMBL1318661 0.93 NMBR (0.73) NMBRMAPTGAAHTTTACR1
SCHEMBL29401413 0.93 NMBR (0.73) NMBRMAPTGAAHTTTACR1
SCHEMBL3808330 0.93 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL1285921 0.93 NMBR (0.76) NMBRMAPTGAAHTTLMNA
SCHEMBL29386277 0.93 NMBR (0.76) NMBRMAPTGAAHTTLMNA

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
WO-2024059472-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-03-21 WO disclosed
WO-2023225661-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-11-23 WO disclosed
WO-2023192873-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-10-05 WO disclosed
WO-2023102507-A1 MACROCYCLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-08 WO disclosed
WO-2023069994-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-04-27 WO disclosed
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed
EP-3191113-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-9969739-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2018-05-15 US disclosed
US-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-14 US disclosed
US-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-14 US disclosed
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS UNIV NANYANG TECH (SG) 2016-07-21 US disclosed
US-9206090-B2 Tricyclic chiral compounds and their use in asymmetric catalysis NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2015-12-08 US disclosed
CN-102203097-A Novel tricyclic chiral compounds and their use in asymmetric catalysis UNIV NANYANG 2011-09-28 CN disclosed
WO-2010027334-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2010-03-11 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 (2 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-20170260237-A1 MACROCYCLIC INHIBITORS OF THE PD-1/PD-L1 AND CD80(B7-1)/PD-L1 PROTEIN/PROTEIN INTERACTIONS CD274, PDCD1, PDCD1LG2 NMBR 2225/4885MAPT 2856/4885GAA 3732/4885
US-20160207932-A1 NOVEL TRICYCLIC CHIRAL COMPOUNDS AND THEIR USE IN ASYMMETRIC CATALYSIS COX6C, CBR3, CYCS NMBR 3261/4885MAPT 4195/4885GAA 2252/4885

“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.