SCHEMBL21168331

SCHEMBL21168331

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

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.47
VSIR Q9H7M9 2/20 0.46
CD274 Q9NZQ7 1/20 0.46
CPB2 Q96IY4 10/20 0.37
C3AR1 Q16581 2/20 0.34
SLC6A5 Q9Y345 1/20 0.33

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
SCHEMBL21168310 0.94 VSIR (0.48) FOLH1VSIRCD274CPB2C3AR1
SCHEMBL18078190 0.92 VSIR (0.48) FOLH1VSIRCD274CPB2
SCHEMBL18078233 0.91 FOLH1 (0.49) FOLH1VSIRCD274CPB2
SCHEMBL22676656 0.89 FOLH1 (0.48) FOLH1VSIRCD274CPB2SLC6A5
SCHEMBL21168358 0.86 VSIR (0.43) FOLH1VSIRCD274C3AR1
SCHEMBL24595340 0.85 VSIR (0.46) FOLH1VSIRCD274
SCHEMBL25477029 0.85 VSIR (0.50) FOLH1VSIRCD274SLC6A5
SCHEMBL18078181 0.85 FOLH1 (0.49) FOLH1VSIRCD274CPB2
SCHEMBL18078185 0.85 VSIR (0.64) FOLH1VSIRCD274CPB2C3AR1
SCHEMBL21168316 0.84 FOLH1 (0.47) FOLH1VSIRCD274

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 6 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-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways AURIGENE ONCOLOGY LIMITED (IN) 2023-01-24 US disclosed
US-11311517-B2 Combination of small molecule CD-47 inhibitors with other anti-cancer agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2022-04-26 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-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2020-05-14 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 (6 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-11311517-B2 Combination of small molecule CD-47 inhibitors with other anti-cancer agents CD47, CD63, CD99 FOLH1 1153/4885VSIR 2447/4885CD274 20/4885
US-20200147054-A1 Combination of Small Molecule CD-47 Inhibitors with Other Anti-Cancer Agents CD47, CD63, CD99 FOLH1 1153/4885VSIR 2447/4885CD274 20/4885
US-11560403-B2 1,2,4-oxadiazole compounds as inhibitors of CD47 signaling pathways CD47, HIF1AN, PIK3R5 FOLH1 3099/4885VSIR 2881/4885CD274 345/4885
US-20230144653-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 FOLH1 3303/4885VSIR 2875/4885CD274 215/4885
US-20210139536-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling Pathways CD47, HIF1AN, PIK3R5 FOLH1 3303/4885VSIR 2875/4885CD274 215/4885
US-20190218252-A1 1,2,4-Oxadiazole Compounds as Inhibitors of CD47 Signalling CD47, HIF1AN, PIK3R5 FOLH1 3156/4885VSIR 2535/4885CD274 106/4885

“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.