SCHEMBL21130597

SCHEMBL21130597

Cc1c(CO)cccc1-c1ccc2nccnc2c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PDCD1 Q15116 5/20 0.57
▸ CD274 Q9NZQ7 5/20 0.57
▸ TGFBR1 P36897 11/20 0.48
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ EPHX1 P07099 1/20 0.37
▸ ACVR1 Q04771 1/20 0.36

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
SCHEMBL21130479 0.85 NPC1 (0.53) PDCD1CD274TGFBR1S1PR1S1PR3
SCHEMBL21130421 0.85 PDCD1 (0.53) PDCD1CD274TGFBR1S1PR1S1PR3
SCHEMBL21130539 0.78 PDCD1 (0.51) PDCD1CD274TGFBR1S1PR1S1PR3
SCHEMBL21130370 0.78 PDCD1 (0.51) PDCD1CD274TGFBR1S1PR1S1PR3
SCHEMBL21130371 0.78 CD274 (0.52) PDCD1CD274S1PR1S1PR3
SCHEMBL21130426 0.78 CD274 (0.52) PDCD1CD274TGFBR1S1PR1S1PR3
SCHEMBL28134708 0.77 TGFBR1 (0.51) TGFBR1S1PR1ALOX5APFEN1
SCHEMBL18367730 0.76 CD274 (0.70) PDCD1CD274S1PR1S1PR3EPHX1
SCHEMBL358303 0.73 CD274 (1.00) PDCD1CD274EPHX1
SCHEMBL29558512 0.73 CD274 (1.00) PDCD1CD274EPHX1

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 5 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
CN-109689640-A It can be used as the compound of immunomodulator 百时美施贵宝公司 2019-04-26 — — CN 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 30/4885TGFBR1 1392/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 PDCD1 46/4885CD274 30/4885TGFBR1 1392/4885

“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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