SCHEMBL21130479

SCHEMBL21130479

Cc1c(CO)cccc1-c1ccc2ncccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ PDCD1 Q15116 3/20 0.53
▸ CD274 Q9NZQ7 3/20 0.53
▸ ALDH1A1 P00352 1/20 0.46
▸ DYRK1A Q13627 1/20 0.44
▸ AR P10275 1/20 0.44
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C2 P52895 1/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ TGFBR1 P36897 5/20 0.42
▸ MCL1 Q07820 1/20 0.42
▸ JAK2 O60674 1/20 0.42
▸ JAK1 P23458 1/20 0.42

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
SCHEMBL21130421 0.89 PDCD1 (0.53) NPC1POLBRAB9APDCD1CD274
SCHEMBL7528122 0.86 NPC1 (0.59) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL21130597 0.85 PDCD1 (0.57) PDCD1CD274S1PR1S1PR3TGFBR1
SCHEMBL21130363 0.82 PDCD1 (0.58) PDCD1CD274ALDH1A1S1PR1S1PR3
SCHEMBL15730171 0.76 NPC1 (0.67) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL21130586 0.76 PDCD1 (0.53) PDCD1CD274S1PR1S1PR3CCNC
SCHEMBL21130599 0.76 PDCD1 (0.53) PDCD1CD274ARS1PR1S1PR3
SCHEMBL27450926 0.76 RAB9A (0.61) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL4632539 0.75 POLB (0.65) NPC1POLBRAB9AALDH1A1DYRK1A
SCHEMBL21130426 0.75 CD274 (0.52) NPC1RAB9APDCD1CD274DYRK1A

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 NPC1 1063/4885POLB 2846/4885RAB9A 1902/4885
US-10590105-B2 1,3-dihydroxy-phenyl derivatives useful as immunomodulators CD74, CD2, HAVCR2 NPC1 1063/4885POLB 2846/4885RAB9A 1902/4885

“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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