SCHEMBL3845206

SCHEMBL3845206

CCCCCC(CO)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 2/20 0.50
CA2 P00918 4/20 0.46
CA1 P00915 2/20 0.46
LMNA P02545 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.43
GRIK1 P39086 2/20 0.42
GRIK2 Q13002 2/20 0.42
SLC1A2 P43004 1/20 0.42
SLC1A1 P43005 1/20 0.42
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 1/20 0.40
DUSP3 P51452 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GPR84 Q9NQS5 3/20 0.39
FFAR1 O14842 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
SCHEMBL319980 0.98 CPB2 (0.53) CPB2CA2CA1LMNAZDHHC7
SCHEMBL277442 0.98 CPB2 (0.53) CPB2CA2CA1LMNAZDHHC7
Ammonia Solution, Strong SCHEMBL5121318 0.96 CPB2 (0.51) CPB2CA2CA1LMNAZDHHC7
Methyl Alcohol SCHEMBL7668985 0.96 CPB2 (0.51) CPB2CA2CA1LMNAZDHHC7
SCHEMBL3176263 0.94 CA2 (0.52) CPB2CA2CA1SLC1A2SLC1A1
Acetic Acid SCHEMBL3260364 0.93 CPB2 (0.49) CPB2CA2CA1LMNAZDHHC7
Ethyl Acetate SCHEMBL1279632 0.91 CPB2 (0.47) CPB2CA2CA1LMNAZDHHC7
Ethyl Acetate SCHEMBL5064725 0.91 CPB2 (0.47) CPB2CA2CA1LMNAZDHHC7
Ethyl Acetate SCHEMBL17005456 0.88 CPB2 (0.45) CPB2CA2LMNAZDHHC7GRIK1
Ethyl Acetate SCHEMBL17699277 0.88 CPB2 (0.45) CPB2CA2LMNAZDHHC7GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1311488-B1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LTD (GB) 2009-11-04 EP disclosed
US-6949577-B2 Pharmaceuticals PFIZER, INC. (US) 2005-09-27 US disclosed
US-20030236420-A1 Pharmaceuticals ALLERTON CHARLOTTE MOIRA NORFO (GB) 2003-12-25 US disclosed
EP-1311488-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS Pfizer Limited (GB) 2003-05-21 EP disclosed
US-20020147229-A1 Pharmaceuticals PFIZER INC. 2002-10-10 US disclosed
WO-2002014285-A1 SUBSTITUTED IMIDAZOLES AS TAFIA INHIBITORS PFIZER LIMITED (GB) 2002-02-21 WO disclosed
CN-1243507-A Bis-sulfonamide hydroxamic acids as MMP inhibitors UPJOHN CO (US) 2000-02-02 CN disclosed
EP-0973733-A1 BIS-SULFONOMIDES HYDROXAMIC ACIDS AS MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 2000-01-26 EP disclosed
US-5859061-A MATRIX METALLOPROTEINASE INHIBITORS; TREATING DISEASES INVOLVING CONNECTIVE TISSUE DEGRADATION PHARMACIA & UPJOHN COMPANY (US) 1999-01-12 US disclosed
WO-1998031664-A1 BIS-SULFONOMIDES HYDROXAMIC ACIDS AS MMP INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-07-23 WO disclosed
US-5716973-A ADMINISTERING DIFLUORO STATONE ANALOGS MERRELL PHARMACEUTICALS INC. (US) 1998-02-10 US disclosed
US-5559140-A VIRICIDES MERRELL PHARMACEUTICALS INC. (US) 1996-09-24 US disclosed
EP-0565631-B1 ANTI-VIRAL COMPOUNDS MERRELL PHARMA INC (US) 1996-09-18 EP disclosed
EP-0565631-A1 ANTI-VIRAL COMPOUNDS. MERRELL DOW PHARMA (US) 1993-10-20 EP disclosed
WO-1992012123-A1 ANTI-VIRAL COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1992-07-23 WO disclosed
US-4833136-A ANTIINFLAMMATORY AGENTS BEECHAM GROUP P.L.C. (GB) 1989-05-23 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-20020147229-A1 Pharmaceuticals BDKRB1, TFPI, BDKRB2 CPB2 234/4885CA2 4181/4885CA1 4605/4885
US-20030236420-A1 Pharmaceuticals BDKRB1, TFPI, SERPINE1 CPB2 167/4885CA2 4178/4885CA1 4583/4885

“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.