SCHEMBL19867037

SCHEMBL19867037

CC(O)C(NC(=O)N[C@@H](CC(N)=O)c1nc(-c2ccccn2)no1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 3/20 0.61
CD274 Q9NZQ7 3/20 0.61
HTT P42858 1/20 0.46
TSHR P16473 3/20 0.44
PDCD1LG2 Q9BQ51 1/20 0.44
PDCD1 Q15116 1/20 0.41
GRM5 P41594 1/20 0.41
PRCP P42785 4/20 0.41
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
NCEH1 Q6PIU2 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39
BMP1 P13497 1/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 4/20 0.38
RAB9A P51151 4/20 0.38
KDM4E B2RXH2 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
TP53 P04637 2/20 0.37
PKM P14618 2/20 0.37

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
SCHEMBL18077944 1.00 VSIR (0.61) VSIRCD274HTTTSHRPDCD1LG2
SCHEMBL18077966 0.87 CD274 (0.61) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL19867019 0.87 CD274 (0.61) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL19867031 0.87 VSIR (0.63) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL19450457 0.87 VSIR (0.63) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL18077945 0.87 VSIR (0.63) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL18077953 0.86 CD274 (0.61) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL19867083 0.86 CD274 (0.61) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL18077931 0.85 CD274 (0.57) VSIRCD274TSHRPDCD1LG2PDCD1
SCHEMBL19866990 0.85 CD274 (0.57) VSIRCD274TSHRPDCD1LG2PDCD1

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 VSIR 2158/4885CD274 2/4885HTT 4713/4885

“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.