SCHEMBL19867089

SCHEMBL19867089

CC(O)C(NC(=O)N[C@@H](CC(N)=O)c1nc(N2CCC[C@H](O)C2)no1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.57
VSIR Q9H7M9 3/20 0.57
PDCD1LG2 Q9BQ51 2/20 0.41
PDCD1 Q15116 1/20 0.39
PIK3CG P48736 1/20 0.39
KDM4E B2RXH2 1/20 0.31
CDK2 P24941 2/20 0.30
CDK9 P50750 2/20 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
SCHEMBL18077995 1.00 CD274 (0.57) CD274VSIRPDCD1LG2PDCD1PIK3CG
SCHEMBL18077940 0.89 CD274 (0.64) CD274VSIRPDCD1LG2PDCD1KDM4E
SCHEMBL19866981 0.89 CD274 (0.64) CD274VSIRPDCD1LG2PDCD1
SCHEMBL18077963 0.89 CD274 (0.64) CD274VSIRPDCD1LG2PDCD1
SCHEMBL19867028 0.89 CD274 (0.64) CD274VSIRPDCD1LG2PDCD1KDM4E
SCHEMBL19867082 0.88 CD274 (0.63) CD274VSIRPDCD1LG2PDCD1KDM4E
SCHEMBL19867020 0.88 CD274 (0.63) CD274VSIRPDCD1LG2PDCD1KDM4E
SCHEMBL18077976 0.88 CD274 (0.63) CD274VSIRPDCD1LG2PDCD1KDM4E
SCHEMBL18077927 0.88 CD274 (0.63) CD274VSIRPDCD1LG2PDCD1KDM4E
SCHEMBL19867038 0.84 CD274 (0.58) CD274VSIRPDCD1LG2PDCD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180044329-A1 3-SUBSTITUTED-1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-02-15 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 (1 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-20180044329-A1 3-SUBSTITUTED-1,2,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS PDCD1, CD274, PDCD1LG2 CD274 2/4885VSIR 2158/4885PDCD1LG2 3/4885

“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.