SCHEMBL2181909

SCHEMBL2181909

CS(=O)(=O)c1ccc(C#CCO)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.47
MMP2 P08253 1/20 0.45
MMP12 P39900 1/20 0.45

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
SCHEMBL6297708 0.82 ESR2 (0.46) MMP2
SCHEMBL10452224 0.81 PTGS2 (0.46) ENPP2
SCHEMBL5663700 0.79 PTGS2 (0.47)
SCHEMBL6446069 0.78 MMP2 (0.55) MMP2MMP12
SCHEMBL20183917 0.78 LMNA (0.56)
SCHEMBL10753670 0.77 LMNA (0.50) MMP2MMP12
SCHEMBL20183913 0.76 MMP13 (0.50) MMP2
SCHEMBL18897536 0.76 MMP2 (0.43) MMP2MMP12
SCHEMBL2177479 0.75 ENPP2 (0.48) ENPP2
SCHEMBL6789086 0.75 MMP2 (0.40) MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973750-A Preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1990-11-27 US claimed
WO-2011080755-A1 FUSED NITROGEN HETEROCYCLIC COMPOUNDS, PROCESS OF PREPARATION AND USES THEREOF ADVINUS THERAPEUTICS PRIVATE LIMITED (IN) 2011-07-07 WO disclosed
US-7094789-B2 5-substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2006-08-22 US disclosed
EP-1541559-A1 5-SUBSTITUTED ISOQUINOLINE DERIVATIVE Asahi Kasei Pharma Corporation (JP) 2005-06-15 EP disclosed
US-20050020623-A1 5-Substituted isoquinoline derivatives ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-27 US disclosed
US-4973750-A Preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1990-11-27 US disclosed
EP-0200739-B1 PREPARATION OF (THREO)-1-ARYL-2-ACYLAMIDO-3-FLUORO-1-PROPANOLS SCHERING CORPORATION (US) 1989-07-19 EP disclosed
US-4677214-A Intermediates for preparation of (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1987-06-30 US disclosed
EP-0200739-A1 PREPARATION OF (THREO)-1-ARYL-2-ACYLAMIDO-3-FLUORO-1-PROPANOLS. SCHERING CORP (US) 1986-11-12 EP disclosed
US-4582918-A Preparation of intermediates for (threo)-1-aryl-2-acylamido-3-fluoro-1-propanols SCHERING CORPORATION (US) 1986-04-15 US disclosed
WO-1986001799-A1 PREPARATION OF (THREO)-1-ARYL-2-ACYLAMIDO-3-FLUORO-1-PROPANOLS SCHERING CORPORATION (US) 1986-03-27 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 (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-20050020623-A1 5-Substituted isoquinoline derivatives MYLK, MYLK2, MYL12A ENPP2 2381/4885MMP2 3448/4885MMP12 3710/4885

“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.