SCHEMBL22095407

SCHEMBL22095407

O=C(O)C(O)Cc1ccccc1OCC1CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.51
▸ SLC6A2 P23975 1/20 0.51
▸ SLC6A4 P31645 1/20 0.51
▸ SLC6A3 Q01959 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ THRA P10827 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ MRGPRX1 Q96LB2 1/20 0.41
▸ PTPRA P18433 1/20 0.41
▸ PTGER1 P34995 2/20 0.40
▸ FAAH O00519 1/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ PDCD1 Q15116 2/20 0.38
▸ CD274 Q9NZQ7 2/20 0.38

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
SCHEMBL22095408 1.00 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22095406 1.00 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29478117 0.85 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29478118 0.85 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22112784 0.85 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22112791 0.85 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22095294 0.85 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL29478125 0.85 RIPK1 (0.51) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22095409 0.84 SLC6A2 (0.50) RIPK1SLC6A2SLC6A4SLC6A3KCNH2
SCHEMBL22095412 0.84 SLC6A2 (0.50) RIPK1SLC6A2SLC6A4SLC6A3KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS PRELUDE THERAPUETICS INCORPORATED 2022-03-03 — — US disclosed
WO-2020123994-A1 2-((5-(PHENYL)-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO)-3-(PHENYL)PROPANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MCL-1 ENZYME INHIBITORS FOR TREATING CANCER PRELUDE THERAPEUTICS, INCORPORATED (US) 2020-06-18 — — 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-20220064170-A1 BICYCLIC HETEROCYCLIC DERIVATIVES AND THEIR USE AS PHARMACEUTICALS CYP2C19, CYP2D6, CYP2C8 RIPK1 4845/4885SLC6A2 2473/4885SLC6A4 2508/4885

“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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