SCHEMBL1015026

SCHEMBL1015026

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

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BCL2L1 Q07817 6/20 0.44
▸ MCL1 Q07820 5/20 0.44
▸ POLB P06746 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ ADAM17 P78536 2/20 0.42
▸ FAAH O00519 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ SPHK2 Q9NRA0 3/20 0.41
▸ SPHK1 Q9NYA1 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ PPARG P37231 1/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ NR4A2 P43354 1/20 0.40

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
SCHEMBL1015028 1.00 BCL2L1 (0.44) BCL2L1MCL1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL5106017 0.99 BCL2L1 (0.43) BCL2L1MCL1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL5112794 0.99 BCL2L1 (0.43) BCL2L1MCL1POLBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL5119442 0.95 PPARG (0.42) BCL2L1MCL1POLBMEN1KMT2A
SCHEMBL5140030 0.90 F10 (0.42) BCL2L1MCL1POLBMEN1KMT2A
SCHEMBL5108395 0.87 ADAM17 (0.45) BCL2L1MCL1POLBMEN1KMT2A
SCHEMBL14277999 0.86 POLB (0.46) BCL2L1MCL1POLBMEN1KMT2A
Hydrochloric Acid SCHEMBL5106015 0.86 ADAM17 (0.44) BCL2L1MCL1POLBMEN1KMT2A
SCHEMBL5570893 0.85 BCL2L1 (0.43) BCL2L1MCL1POLBMEN1KMT2A
SCHEMBL14301679 0.85 POLB (0.44) BCL2L1MCL1POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272858-A2 HCV inhibitors comprising beta amino acids and their uses Novartis AG (CH) 2011-01-12 — — EP disclosed
EP-2007788-A2 HCV INHIBITORS Novartis AG (CH) 2008-12-31 — — EP disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20080045530-A1 Organic Compounds and Their Uses BRANDL TRIXI 2008-02-21 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
US-20070265281-A1 Organic Compounds and Their Uses COTTENS SYLVAIN 2007-11-15 — — US disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 — — WO disclosed
WO-2007121125-A2 HCV INHIBITORS NOVARTIS AG (CH) 2007-10-25 — — 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 (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-20080045530-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 BCL2L1 2218/4885MCL1 1531/4885POLB 419/4885
US-20070265281-A1 Organic Compounds and Their Uses OAT, OTC, AOX1 BCL2L1 2218/4885MCL1 1531/4885POLB 419/4885

“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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