SCHEMBL19981248

SCHEMBL19981248

O=C(O)C[C@H](NC(=O)c1cccc(C(=O)O)c1)c1nc(-c2cc(F)ccc2F)no1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSA P10619 15/20 0.47
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
SUCNR1 Q9BXA5 2/20 0.41
MAOA P21397 1/20 0.41
BLVRB P30043 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KMT2A Q03164 1/20 0.40

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
SCHEMBL19981240 0.93 LMNA (0.40) CTSALMNATSHRMAOABLVRB
SCHEMBL19981233 0.91 LMNA (0.44) CTSALMNATSHRMAOABLVRB
SCHEMBL19981269 0.90 CTSA (0.45) CTSALMNATSHRSUCNR1KMT2A
SCHEMBL24218494 0.90 LMNA (0.45) CTSALMNATSHRMAOABLVRB
SCHEMBL18077943 0.77 VSIR (0.48) CTSA
SCHEMBL19867021 0.77 VSIR (0.48) CTSA
SCHEMBL19981130 0.77 CTSA (0.41) CTSALMNATSHR
SCHEMBL19975478 0.70 DPP4 (0.40) CTSA
SCHEMBL19975480 0.70 DPP4 (0.40) CTSA
SCHEMBL19867093 0.70 CD274 (0.58) CTSA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230046904-A1 COMBINATION OF SMALL MOLECULE INHIBITOR OF THE PD-1/PD-L1 INTERACTION AND ANTI-PD-1 ANTIBODY FOR TREATING CANCER GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 US disclosed
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-2021052386-A1 COMBINATION OF SMALL MOLECULE INHIBITOR OF THE PD-1/PD-L1 INTERACTION AND ANTI-PD-1 ANTIBODY FOR TREATING CANCER GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-03-25 WO 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 (2 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-20230046904-A1 COMBINATION OF SMALL MOLECULE INHIBITOR OF THE PD-1/PD-L1 INTERACTION AND ANTI-PD-1 ANTIBODY FOR TREATING CANCER PDCD1, CD274, PDCD1LG2 CTSA 3201/4885LMNA 4094/4885TSHR 2208/4885
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 CTSA 3945/4885LMNA 3485/4885TSHR 1691/4885

“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.