SCHEMBL21616744

SCHEMBL21616744

O=Cc1cnc(C(=O)O)cc1C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ASPH Q12797 4/20 0.45
▸ KDM8 Q8N371 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ HCAR2 Q8TDS4 3/20 0.39
▸ RIOX2 Q8IUF8 1/20 0.39
▸ PDCD1 Q15116 4/20 0.36
▸ CD274 Q9NZQ7 4/20 0.36
▸ CNR2 P34972 3/20 0.35
▸ GABRP O00591 1/20 0.35
▸ GABRD O14764 1/20 0.35
▸ GABRA1 P14867 1/20 0.35
▸ GABRB1 P18505 1/20 0.35

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
SCHEMBL21222763 0.86 GSK3B (0.39) ASPHKDM8PDCD1CD274CNR2
SCHEMBL21623504 0.83 GABRA1 (0.41) KDM4EL3MBTL1CNR2GABRPGABRD
SCHEMBL29877863 0.77 ASPH (0.44) ASPHKDM8KDM4EKMT2AGLA
SCHEMBL21623507 0.76 CSNK2B (0.35) —
SCHEMBL29957502 0.75 KMO (0.45) ASPHKDM8KDM4EKMT2AGLA
SCHEMBL24772930 0.75 CYP17A1 (0.35) KMT2A
SCHEMBL29993794 0.75 CYP17A1 (0.35) KMT2A
SCHEMBL29955723 0.74 HCAR2 (0.44) ASPHKDM8KDM4EKMT2ASMN1; SMN2
SCHEMBL30703822 0.74 ASPH (0.45) ASPHKDM8KDM4EKMT2AGLA
SCHEMBL15776120 0.73 ASPH (0.44) ASPHKDM8KDM4EKMT2AGLA

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
CN-111886219-B Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2023-04-25 — — CN disclosed
US-20220380342-A1 BIPHENYL DERIVATIVES FOR BLOCKING PD-1/PD-L1 INTERACTION, PREPARATION METHOD THEREFOR AND USE THEREOF ABBISKO THERAPEUTICS CO., LTD. (CN) 2022-12-01 — — US disclosed
CN-113825751-A Biphenyl derivative for blocking PD-1/PD-L1 interaction and preparation method and application thereof 上海和誉生物医药科技有限公司 2021-12-21 — — CN disclosed
CN-111886219-A Immunosuppressant, preparation method and pharmaceutical application thereof 上海和誉生物医药科技有限公司 2020-11-03 — — CN disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — WO disclosed
WO-2020011209-A1 IMMUNOSUPPRESSIVE AGENT, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2020-01-16 — — 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-20220380342-A1 BIPHENYL DERIVATIVES FOR BLOCKING PD-1/PD-L1 INTERACTION, PREPARATION METHOD THEREFOR AND USE THEREOF CD274, PDCD1, PDCD1LG2 ASPH 2455/4885KDM8 1832/4885KDM4E 2154/4885

“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.

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