SCHEMBL4635109

SCHEMBL4635109

COC(=O)C(CC(=O)OC(C)(C)C)CC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.48
CYP2D6 P10635 1/20 0.43
CA12 O43570 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
MMP1 P03956 1/20 0.37
CA7 P43166 1/20 0.37
MLYCD O95822 3/20 0.36
BIRC2 Q13490 3/20 0.36
CTSL P07711 1/20 0.36
CTSB P07858 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL4635107 1.00 MME (0.48) MMECYP2D6CA12CA14CA1
SCHEMBL7311828 0.85 CYP2D6 (0.39) MMECYP2D6MLYCDHDAC3HDAC1
SCHEMBL7453163 0.83 MME (0.54) MMECA1CA2BIRC2
SCHEMBL8348140 0.83 CYP2D6 (0.43) MMECYP2D6CA1CA2MMP1
SCHEMBL4633094 0.82 SLC1A3 (0.44) MMECYP2D6MMP1MLYCDCTSL
SCHEMBL1705392 0.82 SLC1A3 (0.44) MMECYP2D6MMP1MLYCDCTSL
SCHEMBL15116513 0.82 KISS1R (0.43) CYP2D6CA1CA2MMP1CA7
SCHEMBL20054394 0.82 KISS1R (0.43) CYP2D6CA1CA2MMP1CA7
SCHEMBL1915928 0.82 SLC1A3 (0.44) MMECYP2D6MMP1MLYCDCTSL
SCHEMBL8050661 0.81 MMP1 (0.48) MMECYP2D6MMP1CTSLCTSB

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101356152-A Use of inhibitors of aureolysin in the treatment of inflammatory skin conditions characterised by colonisation with staphylococcus aureus SERENTIS LTD (GB) 2009-01-28 CN disclosed
EP-1931624-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS Serentis Limited (GB) 2008-06-18 EP disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
US-7189747-B2 Method of treating noninflammatory cartilage damage WARNER-LAMBERT COMPANY (US) 2007-03-13 US disclosed
WO-2007025999-A1 USE OF AN AUREOLYSIN INHIBITOR FOR THE TREATMENT OF INFLAMMATORY SKIN CONDITIONS CHARACTERISED BY COLONISATION WITH STAPHYLOCOCCUS AUREUS SERENTIS LIMITED (GB) 2007-03-08 WO disclosed
US-20070049518-A1 Novel method of treatment of inflammatory skin conditions SERENTIS LIMITED (GB) 2007-03-01 US disclosed
US-7138542-B2 Method of treating tinnitus WARNER LAMBERT COMPANY (US) 2006-11-21 US disclosed
US-20060100281-A1 Method of treating tinnitus DOOLEY DAVID J 2006-05-11 US disclosed
US-7026505-B2 Method of treating tinnitus WARNER-LAMBERT COMPANY (US) 2006-04-11 US disclosed
US-20030176504-A1 Method of treating tinnitus DOOLEY DAVID JAMES (US) 2003-09-18 US disclosed
US-6620829-B2 Administering a therapeutically effective amount of a GABA analog having characteristic of being an inhibitor of cartilage damage, or a pharmaceutically acceptable salt WARNER-LAMBERT COMPANY 2003-09-16 US disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
WO-2003063845-A1 ALPHA 2 DELTA LIGANDS TO TREAT TINNITUS WARNER-LAMBERT COMPANY LLC (US) 2003-08-07 WO disclosed
US-6521650-B1 Novel gamma aminobutyric acids; treatment of epilepsy, faint-ness attacks, hypokinesia, cranial disorders, neurodegenera-tive disorders, depression, anxiety, panic, pain, neuropatho-logical disorders, inflammation and gastrointestinal damage PFIZER, INC. 2003-02-18 US disclosed
US-20020072533-A1 Method of treating cartilage damage SCHRIER DENIS (US) 2002-06-13 US disclosed
EP-1199072-A2 Method of treating cartilage damage WARNER-LAMBERT COMPANY (US) 2002-04-24 EP disclosed
CN-1279673-A ((Cyclo) alkyl substituted-.gamma.-aminobutyric acid derivatives (=GABA analogurs), their preparation and their use in the treatment of neurolog disorders WARNER LAMBERT CO (US) 2001-01-10 CN disclosed
EP-1045839-A2 NOVEL AMINES AS PHARMACEUTICAL AGENTS Warner-Lambert Company LLC (US) 2000-10-25 EP disclosed
WO-1999031074-A2 ((CYCLO)ALKYL SUBSTITUTED)-.GAMMA.-AMINOBUTYRIC ACID DERIVATIVES (=GABA ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS WARNER-LAMBERT COMPANY (US) 1999-06-24 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 (4 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-20030176504-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRA1D MME 1724/4885CYP2D6 1197/4885CA12 1737/4885
US-20020072533-A1 Method of treating cartilage damage COL2A1, COL1A1, GABRB1 MME 2842/4885CYP2D6 4272/4885CA12 474/4885
US-20060100281-A1 Method of treating tinnitus ADRA2A, ADRA1A, ADRB2 MME 1411/4885CYP2D6 1156/4885CA12 1685/4885
US-20070049518-A1 Novel method of treatment of inflammatory skin conditions MMP8, CUTA, MMP1 MME 540/4885CYP2D6 4866/4885CA12 2443/4885

“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.