SCHEMBL22959814

SCHEMBL22959814

O=C(O)CCCCCCCCCCOc1cccc2c1CN(C1CCCNC1=O)C2O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 7/20 0.40
▸ PSEN1 P49768 1/20 0.35
▸ PSEN2 P49810 1/20 0.35
▸ APH1B Q8WW43 1/20 0.35
▸ NCSTN Q92542 1/20 0.35
▸ APH1A Q96BI3 1/20 0.35
▸ PSENEN Q9NZ42 1/20 0.35
▸ LTB4R Q15722 3/20 0.35
▸ LTB4R2 Q9NPC1 3/20 0.35
▸ PTGIR P43119 2/20 0.35
▸ FABP3 P05413 3/20 0.34
▸ FABP4 P15090 3/20 0.34
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL24818018 0.81 CRBN (0.48) S1PR5
SCHEMBL22857769 0.72 CRBN (0.46) —
SCHEMBL23968260 0.72 KDM4E (0.36) —
SCHEMBL20778948 0.70 HTR6 (0.37) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21906782 0.65 CRBN (0.46) —
SCHEMBL30262767 0.65 CRBN (0.68) —
SCHEMBL30262873 0.65 CRBN (0.68) —
SCHEMBL22962692 0.65 CRBN (0.68) —
SCHEMBL30262829 0.65 CRBN (0.68) —
SCHEMBL29223489 0.65 CRBN (0.68) —

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-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-10-03 — — US disclosed
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-02-11 — — 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-11771697-B2 Small molecule degraders of polybromo-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 S1PR5 3114/4885PSEN1 134/4885PSEN2 262/4885
US-20210038599-A1 SMALL MOLECULE DEGRADERS OF POLYBROMO-1 (PBRM1) PBRM1, SMARCC1, SMARCC2 S1PR5 3114/4885PSEN1 134/4885PSEN2 262/4885

“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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