SCHEMBL19867083

SCHEMBL19867083

CC(O)C(NC(=O)N[C@@H](CC(N)=O)c1nc(-c2cc(Cl)ccn2)no1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.61
VSIR Q9H7M9 3/20 0.61
PDCD1LG2 Q9BQ51 2/20 0.44
PDCD1 Q15116 1/20 0.41
KDM4C Q9H3R0 1/20 0.35
KCNT1 Q5JUK3 1/20 0.35
BMP1 P13497 4/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
METAP1 P53582 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
PRCP P42785 1/20 0.32

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
SCHEMBL18077953 1.00 CD274 (0.61) CD274VSIRPDCD1LG2PDCD1KDM4C
SCHEMBL18077931 0.88 CD274 (0.57) CD274VSIRPDCD1LG2PDCD1KCNT1
SCHEMBL19866990 0.88 CD274 (0.57) CD274VSIRPDCD1LG2PDCD1KCNT1
SCHEMBL18077944 0.86 VSIR (0.61) CD274VSIRPDCD1LG2PDCD1BMP1
SCHEMBL19867037 0.86 VSIR (0.61) CD274VSIRPDCD1LG2PDCD1BMP1
SCHEMBL18077966 0.84 CD274 (0.61) CD274VSIRPDCD1LG2PDCD1BMP1
SCHEMBL19867019 0.84 CD274 (0.61) CD274VSIRPDCD1LG2PDCD1BMP1
SCHEMBL19450457 0.81 VSIR (0.63) CD274VSIRPDCD1LG2PDCD1LMNA
SCHEMBL18077945 0.81 VSIR (0.63) CD274VSIRPDCD1LG2PDCD1LMNA
SCHEMBL19867031 0.81 VSIR (0.63) CD274VSIRPDCD1LG2PDCD1LMNA

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.