SCHEMBL25625028

SCHEMBL25625028

Cn1ccc2cc(C(C)(C)C)c(OCC3CCCN3S(C)(=O)=O)nc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 1/20 0.36
▸ CASP3 P42574 5/20 0.35
▸ EDNRA P25101 3/20 0.35
▸ CASP7 P55210 4/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PTK2 Q05397 1/20 0.34
▸ CHRNB2 P17787 2/20 0.32
▸ CHRNB4 P30926 2/20 0.32
▸ CHRNA3 P32297 2/20 0.32
▸ CHRNA4 P43681 2/20 0.32
▸ KDM1A O60341 1/20 0.32
▸ RORC P51449 1/20 0.32
▸ CHRNB1 P11230 1/20 0.32
▸ CHRNB3 Q05901 1/20 0.32

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
SCHEMBL25613110 0.80 JAK2 (0.38) ALOX5APCASP3EDNRACASP7CNR2
SCHEMBL25627065 0.75 CNR2 (0.31) CNR2
SCHEMBL25613101 0.74 JAK2 (0.34) CASP3CASP7JAK2JAK3
SCHEMBL25627063 0.70 — —
SCHEMBL25627396 0.67 KDM4E (0.38) CHRNB2CHRNA4
SCHEMBL25613114 0.66 CHRNB4 (0.46) CHRNB2CHRNB4CHRNA3CHRNA4CHRNB1
SCHEMBL25613112 0.63 TDP1 (0.35) —
SCHEMBL8541198 0.62 CASP3 (0.38) CASP3CASP7
SCHEMBL13726972 0.62 PER2 (0.33) CNR2
SCHEMBL13269872 0.62 CASP3 (0.46) CASP3CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS FOCHON BIOSCIENCES, LTD. (CN) 2023-05-25 — — 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 (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-20230159527-A1 COMPOUNDS AS BCL-2 INHIBITORS BCL2, BCL2L2, BCL2L1 ALOX5AP 3258/4885CASP3 26/4885EDNRA 4201/4885

“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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