SCHEMBL21542330

SCHEMBL21542330

CC1(C)CCC(CN2CCN(c3ccc(C(=O)NS(=O)(=O)c4ccc(NCC5CCC(N=[SH]6(O)CCOCC6)CC5)c(S(=O)(=O)C(F)(F)F)c4)c(Oc4cnc5[nH]ccc5c4)c3)CC2)=C(c2ccc(Cl)cc2)C1

nearest known ligand 0.89

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BCL2 P10415 19/20 0.89
▸ BCL2L1 Q07817 3/20 0.76
▸ MCL1 Q07820 2/20 0.76
▸ BCL2L2 Q92843 2/20 0.76
▸ NSD2 O96028 1/20 0.76
▸ ADORA3 P0DMS8 1/20 0.76
▸ CYP2C9 P11712 1/20 0.76
▸ ADRA2C P18825 1/20 0.76
▸ SLC6A2 P23975 1/20 0.76
▸ BID P55957 1/20 0.76
▸ SLC6A3 Q01959 1/20 0.76
▸ ASPH Q12797 1/20 0.76
▸ BAD Q92934 1/20 0.76
▸ NSD1 Q96L73 1/20 0.76
▸ NSD3 Q9BZ95 1/20 0.76
▸ TMEM97 Q5BJF2 1/20 0.70

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
SCHEMBL21542162 0.96 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL30314207 0.94 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL1702331 0.94 BCL2 (1.00) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21561004 0.93 BCL2 (0.89) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21560851 0.93 BCL2 (0.87) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21542243 0.93 BCL2 (0.86) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL21542225 0.92 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL26647979 0.91 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL31450908 0.91 BCL2 (0.90) BCL2BCL2L1MCL1BCL2L2NSD2
SCHEMBL31450997 0.91 BCL2 (0.89) BCL2BCL2L1MCL1BCL2L2NSD2

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-11053239-B2 Compounds as BLC-2-selective apoptosis-inducing agents FOCHON PHARMACEUTICALS, LTD. (CN) 2021-07-06 — — US disclosed
US-20190345156-A1 COMPOUNDS AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS SHANGHAI FOCHON PHARMACEUTICAL CO., LTD. (CN) 2019-11-14 — — 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-20190345156-A1 COMPOUNDS AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS BCL2, BAX, BCL2L1 BCL2 1/4885BCL2L1 3/4885MCL1 6/4885
US-11053239-B2 Compounds as BLC-2-selective apoptosis-inducing agents BCL2, BAX, BAD BCL2 1/4885BCL2L1 9/4885MCL1 5/4885

“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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