SCHEMBL19981133

SCHEMBL19981133

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

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.36
DPP7 Q9UHL4 3/20 0.36
S1PR1 P21453 8/20 0.35
VSIR Q9H7M9 2/20 0.34
CD274 Q9NZQ7 1/20 0.34
DCAF1 Q9Y4B6 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SLC9A1 P19634 2/20 0.33
CTSA P10619 1/20 0.33
S1PR3 Q99500 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
PKLR P30613 1/20 0.31

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
SCHEMBL24476314 0.89 DPP4 (0.39) DPP4DPP7S1PR1HDAC6SLC9A1
SCHEMBL19981291 0.86 VSIR (0.42) DPP4DPP7S1PR1VSIRCD274
SCHEMBL24218473 0.84 S1PR1 (0.35) DPP4DPP7S1PR1VSIRCD274
SCHEMBL19981159 0.81 DPP4 (0.38) DPP4DPP7S1PR1HDAC6SLC9A1
SCHEMBL19981143 0.78 DPP4 (0.34) DPP4DPP7S1PR1HDAC6SLC9A1
SCHEMBL19981308 0.77 BMP1 (0.39) DPP4DPP7VSIRCD274
SCHEMBL18078241 0.76 VSIR (0.56) VSIRCD274
SCHEMBL18078016 0.75 DPP4 (0.45) DPP4DPP7S1PR1SLC9A1CTSA
SCHEMBL19867093 0.75 CD274 (0.58) DPP4DPP7S1PR1VSIRCD274
SCHEMBL18077936 0.75 CD274 (0.58) DPP4DPP7S1PR1VSIRCD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2022-06-02 US disclosed
EP-3943083-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME Guangzhou Maxinovel Pharmaceuticals Co., Ltd. (CN) 2022-01-26 EP disclosed
WO-2020192570-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME 上海再极医药科技有限公司 2020-10-01 WO disclosed
WO-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO 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-20220168268-A1 SMALL-MOLECULE INHIBITOR OF PD-1/PD-L1, PHARMACEUTICAL COMPOSITION THEREOF WITH PD-L1 ANTIBODY, AND APPLICATION OF SAME PDCD1, PDCD1LG2, CD274 DPP4 3242/4885DPP7 2490/4885S1PR1 3525/4885

“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.