SCHEMBL21130599

SCHEMBL21130599

Cc1c(CO)cccc1-c1ccc2cnccc2c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 3/20 0.53
▸ CD274 Q9NZQ7 3/20 0.53
▸ CYP11B1 P15538 3/20 0.52
▸ CYP11B2 P19099 3/20 0.52
▸ TDO2 P48775 2/20 0.47
▸ ABL1 P00519 3/20 0.44
▸ CCNC P24863 4/20 0.44
▸ CDK8 P49336 4/20 0.44
▸ PIK3CD O00329 1/20 0.43
▸ PIK3CB P42338 1/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ HASPIN Q8TF76 1/20 0.43
▸ AR P10275 1/20 0.42
▸ AKT1 P31749 1/20 0.42
▸ S1PR1 P21453 1/20 0.41
▸ S1PR3 Q99500 1/20 0.41

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
SCHEMBL21130586 0.95 PDCD1 (0.53) PDCD1CD274CYP11B1CYP11B2TDO2
SCHEMBL18367730 0.79 CD274 (0.70) PDCD1CD274CCNCCDK8PIK3CD
SCHEMBL30091380 0.78 PDCD1 (0.69) PDCD1CD274CYP11B1CYP11B2
SCHEMBL11074941 0.78 PDCD1 (0.69) PDCD1CD274CYP11B1CYP11B2
SCHEMBL21130421 0.76 PDCD1 (0.53) PDCD1CD274CCNCCDK8S1PR1
SCHEMBL21130479 0.76 NPC1 (0.53) PDCD1CD274CCNCCDK8AR
SCHEMBL21130597 0.73 PDCD1 (0.57) PDCD1CD274S1PR1S1PR3
SCHEMBL15730179 0.73 ABL1 (0.51) CYP11B1CYP11B2TDO2ABL1PIK3CD
SCHEMBL21130375 0.72 PDCD1 (0.59) PDCD1CD274ARS1PR1S1PR3
SCHEMBL20539304 0.71 CD274 (0.58) PDCD1CD274CYP11B1CYP11B2S1PR1

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
CN-109689640-B Compounds useful as immunomodulators 百时美施贵宝公司 2022-01-04 — — CN disclosed
EP-3481815-B1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2021-09-29 — — EP disclosed
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators BRISTOL-MEYERS SQUIBB COMPANY (US) 2020-03-17 — — US disclosed
US-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2019-06-20 — — 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 (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-20190185450-A1 1,3-DIHYDROXY-PHENYL DERIVATIVES USEFUL AS IMMUNOMODULATORS CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885CYP11B1 336/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885CYP11B1 336/4885

“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.

Send feedback