SCHEMBL19867036

SCHEMBL19867036

CC(O)C(NC(=O)N[C@@H](CCC(=O)O)c1nc(-c2cc(F)ccc2F)no1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
VSIR Q9H7M9 2/20 0.43
CD274 Q9NZQ7 1/20 0.43
S1PR1 P21453 4/20 0.36
DPP4 P27487 2/20 0.36
DPP7 Q9UHL4 2/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
FOLH1 Q04609 3/20 0.34
GABRA5 P31644 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
CTSA P10619 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PTGDR2 Q9Y5Y4 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
SCHEMBL18077932 1.00 VSIR (0.43) VSIRCD274S1PR1DPP4DPP7
SCHEMBL18077943 0.91 VSIR (0.48) VSIRCD274S1PR1DPP4DPP7
SCHEMBL19867021 0.91 VSIR (0.48) VSIRCD274S1PR1DPP4DPP7
SCHEMBL18077936 0.88 CD274 (0.58) VSIRCD274S1PR1DPP4DPP7
SCHEMBL19867093 0.88 CD274 (0.58) VSIRCD274S1PR1DPP4DPP7
SCHEMBL19981256 0.86 VSIR (0.44) VSIRCD274S1PR1LMNATSHR
SCHEMBL19981254 0.86 KCNT1 (0.47) VSIRCD274LMNATSHRFOLH1
SCHEMBL19981275 0.79 DPP4 (0.47) VSIRCD274DPP4DPP7LMNA
SCHEMBL19981233 0.78 LMNA (0.44) S1PR1LMNATSHRCTSAHDAC6
SCHEMBL19866982 0.77 VSIR (0.45) VSIRCD274LMNATSHR

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 2/4885S1PR1 2527/4885

“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.