SCHEMBL19867027

SCHEMBL19867027

CC(O)C(NC(=O)N[C@@H](CC(N)=O)c1nc(-c2cccc(F)c2)no1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 4/20 0.58
VSIR Q9H7M9 3/20 0.58
KCNT1 Q5JUK3 2/20 0.45
PDCD1LG2 Q9BQ51 2/20 0.42
PTPN1 P18031 3/20 0.40
PDCD1 Q15116 1/20 0.40
DCAF1 Q9Y4B6 1/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
IDH1 O75874 1/20 0.38
GRM5 P41594 2/20 0.37
TDP1 Q9NUW8 1/20 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
SCHEMBL18077933 1.00 CD274 (0.58) CD274VSIRKCNT1PDCD1LG2PTPN1
SCHEMBL19867031 0.88 VSIR (0.63) CD274VSIRPDCD1LG2PDCD1LMNA
SCHEMBL18077945 0.88 VSIR (0.63) CD274VSIRPDCD1LG2PDCD1LMNA
SCHEMBL19450457 0.88 VSIR (0.63) CD274VSIRPDCD1LG2PDCD1LMNA
SCHEMBL19981254 0.88 KCNT1 (0.47) CD274VSIRKCNT1PTPN1LMNA
SCHEMBL18077936 0.86 CD274 (0.58) CD274VSIRPDCD1LG2PDCD1
SCHEMBL19867093 0.86 CD274 (0.58) CD274VSIRPDCD1LG2PDCD1
SCHEMBL18077944 0.81 VSIR (0.61) CD274VSIRPDCD1LG2PDCD1LMNA
SCHEMBL19867037 0.81 VSIR (0.61) CD274VSIRPDCD1LG2PDCD1LMNA
SCHEMBL19867090 0.79 CD274 (0.61) 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 2158/4885KCNT1 2851/4885

“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.