SCHEMBL21130430

SCHEMBL21130430

Cc1c(CO)cccc1-c1cc2ccccc2cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 5/20 0.53
▸ PDCD1 Q15116 4/20 0.53
▸ NPC1 O15118 3/20 0.50
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2A6 P11509 1/20 0.42
▸ RAB9A P51151 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ GRM4 Q14833 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TDP1 Q9NUW8 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
SCHEMBL21130590 0.77 PDCD1 (0.53) CD274PDCD1NPC1S1PR1S1PR3
SCHEMBL3127751 0.76 NPC1 (0.57) NPC1S1PR1CYP1A2CYP2A6RAB9A
SCHEMBL11066304 0.75 PDCD1 (0.59) CD274PDCD1NPC1S1PR1S1PR3
SCHEMBL28271036 0.75 NPC1 (0.74) NPC1CYP1A2CYP2A6RAB9AL3MBTL1
SCHEMBL21130425 0.75 CD274 (0.54) CD274PDCD1NPC1S1PR1S1PR3
SCHEMBL21130363 0.74 PDCD1 (0.58) CD274PDCD1S1PR1S1PR3CYP1A2
SCHEMBL807820 0.74 NPC1 (0.62) NPC1CYP1A2CYP2A6RAB9AL3MBTL1
SCHEMBL731645 0.74 NPC1 (0.62) NPC1CYP1A2CYP2A6RAB9AL3MBTL1
SCHEMBL16245269 0.73 PDCD1 (0.76) CD274PDCD1S1PR1S1PR3MEN1
SCHEMBL11065624 0.73 PDCD1 (0.51) CD274PDCD1NPC1S1PR1S1PR3

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 CD274 30/4885PDCD1 46/4885NPC1 1063/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 CD274 30/4885PDCD1 46/4885NPC1 1063/4885

“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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