SCHEMBL21168336

SCHEMBL21168336

N=C(N)NCCC[C@H](NC(=O)NCC(=O)O)c1nc([C@@H](N)CCC(=O)O)no1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.38
CD274 Q9NZQ7 1/20 0.38
NAALAD2 Q9Y3Q0 1/20 0.32
BMP1 P13497 1/20 0.30

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
SCHEMBL25477045 0.93 VSIR (0.38) VSIRCD274NAALAD2
SCHEMBL21168248 0.91 VSIR (0.39) VSIRCD274BMP1
SCHEMBL21168315 0.89 FOLH1 (0.41) VSIRCD274NAALAD2
SCHEMBL24668840 0.89 VSIR (0.39) VSIRCD274
SCHEMBL21168345 0.87 VSIR (0.42) VSIRCD274NAALAD2
SCHEMBL21168330 0.86 VSIR (0.47) VSIRCD274
SCHEMBL21168329 0.86 VSIR (0.47) VSIRCD274
SCHEMBL25477041 0.85 VSIR (0.41) VSIRCD274NAALAD2
SCHEMBL25477050 0.85 FOLH1 (0.42) VSIRCD274NAALAD2
SCHEMBL21168316 0.85 FOLH1 (0.47) VSIRCD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways AURIGENE ONCOLOGY LIMITED (IN) 2023-05-11 US disclosed
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways AURIGENE ONCOLOGY LIMITED (IN) 2023-05-11 US disclosed
US-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways AURIGENE ONCOLOGY LIMITED (IN) 2023-01-24 US disclosed
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways AURIGENE ONCOLOGY LIMITED (IN) 2021-05-13 US disclosed
US-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2019-07-18 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-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways CD47, HIF1AN, PIK3R5 VSIR 2881/4885CD274 345/4885NAALAD2 4140/4885
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 VSIR 2875/4885CD274 215/4885NAALAD2 4214/4885
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 VSIR 2875/4885CD274 215/4885NAALAD2 4214/4885
US-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling CD47, HIF1AN, PIK3R5 VSIR 2535/4885CD274 106/4885NAALAD2 4024/4885

“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.