SCHEMBL5108395

SCHEMBL5108395

C=C[C@@H]1C[C@@]1(C(N)=O)C(=O)NS(=O)(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ADAM17 P78536 3/20 0.45
▸ BCL2L1 Q07817 5/20 0.43
▸ MCL1 Q07820 4/20 0.43
▸ SPHK2 Q9NRA0 3/20 0.42
▸ SPHK1 Q9NYA1 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FAAH O00519 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ PTPN1 P18031 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ ITGB3 P05106 1/20 0.39
▸ ITGA2B P08514 1/20 0.39

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
Hydrochloric Acid SCHEMBL5106015 0.99 ADAM17 (0.44) ADAM17BCL2L1MCL1SPHK2SPHK1
SCHEMBL1015026 0.87 BCL2L1 (0.44) ADAM17BCL2L1MCL1SPHK2SPHK1
SCHEMBL1015028 0.87 BCL2L1 (0.44) ADAM17BCL2L1MCL1SPHK2SPHK1
Hydrochloric Acid SCHEMBL5106017 0.86 BCL2L1 (0.43) ADAM17BCL2L1MCL1SPHK2SPHK1
Hydrochloric Acid SCHEMBL5112794 0.86 BCL2L1 (0.43) ADAM17BCL2L1MCL1SPHK2SPHK1
SCHEMBL14277999 0.85 POLB (0.46) ADAM17BCL2L1MCL1POLBMEN1
SCHEMBL14301679 0.83 POLB (0.44) ADAM17BCL2L1MCL1POLBMEN1
SCHEMBL5570893 0.83 BCL2L1 (0.43) ADAM17BCL2L1MCL1POLBMEN1
SCHEMBL14364377 0.83 POLB (0.43) ADAM17BCL2L1MCL1POLBMEN1
SCHEMBL14364344 0.83 POLB (0.43) ADAM17BCL2L1MCL1POLBMEN1

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-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — 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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 ADAM17 4444/4885BCL2L1 2218/4885MCL1 1531/4885

“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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