Sugi Predict

Sugi Predict / Compounds / SCHEMBL4634115

SCHEMBL4634115

SCHEMBL4634115

CC(C)C[C@H](Br)C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ TDP1 Q9NUW8 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ CTSL P07711 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NOS1 P29475 2/20 0.33
▸ APP P05067 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ NOS3 P29474 1/20 0.33

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
SCHEMBL4634114 1.00 CA1 (0.38) CA1CA2CA7TDP1POLB
SCHEMBL4385861 1.00 CA1 (0.38) CA1CA2CA7TDP1POLB
SCHEMBL9352351 0.89 KMT2A (0.33) CA1CA2CA7TDP1POLB
SCHEMBL28627760 0.82 CA12 (0.33) CA1CA2CA7TDP1POLB
SCHEMBL22145578 0.82 CA12 (0.33) CA1CA2CA7TDP1POLB
SCHEMBL28634515 0.82 CA12 (0.33) CA1CA2CA7TDP1POLB
SCHEMBL28643207 0.82 CA12 (0.33) CA1CA2CA7TDP1POLB
SCHEMBL22162338 0.82 CA12 (0.33) CA1CA2CA7TDP1POLB
SCHEMBL9352213 0.82 ZDHHC7 (0.43) CA1CA2CA7TDP1POLB
SCHEMBL105448 0.81 CA12 (0.38) CA1CA2CA7TDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
CN-1135236-C 5-membered ring heterocycles as inhibitors of leucocyte adhesion and as VLA-4 antagonists �ճ�˹�عɷݹ�˾ 2004-01-21 — — CN disclosed
CN-1218047-A Novel imidazolidine derivatives, their preparation, their use and pharmaceutical preparations comprising them HOECHST MARION ROUSSEL DE GMBH (DE) 1999-06-02 — — CN disclosed
US-5455262-A Treating arthritis, tumor metastasis, periodontal disease, corneal ulceration, bone resorption diseases, glomerular diseases FLORIDA STATE UNIVERSITY (US) 1995-10-03 — — 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-20070049518-A1 Novel method of treatment of inflammatory skin conditions MMP8, CUTA, MMP1 CA1 3540/4885CA2 2089/4885CA7 1319/4885

“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.