SCHEMBL4830101

SCHEMBL4830101

CCOC(=O)c1c(C)cccc1OS(=O)(=O)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
DRD2 P14416 5/20 0.39
DRD3 P35462 4/20 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
SCHEMBL8189712 0.81 TSHR (0.56) MAPTLMNAMEN1KMT2AKDM4E
SCHEMBL4472069 0.79 TSHR (0.46) CA12CA1CA2CA7CA9
SCHEMBL25620998 0.78 CA12 (0.49) CA12CA1CA2CA7CA9
SCHEMBL31522089 0.76 MAPT (0.42) CA12CA1CA2CA7CA9
SCHEMBL3866652 0.76 BRD4 (0.49) SMN1; SMN2MAPTNPC1RAB9AKDM4E
SCHEMBL282595 0.76 CA12 (0.58) CA12CA1CA2CA7CA9
SCHEMBL15308528 0.76 ADORA1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL4752944 0.76 SMN1; SMN2 (0.47) CA12CA1CA2CA7CA9
SCHEMBL9080409 0.76 TSHR (0.43) CA12CA1CA2CA7CA9
SCHEMBL570471 0.75 CA12 (0.70) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399777-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-07-15 US disclosed
US-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2005-12-01 US disclosed
US-6884812-B2 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-04-26 US disclosed
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2004-06-24 US disclosed
US-6624185-B2 Drugs at least one lipid- or triglyceride-lowering active compound; and carriers for lipid metabolism AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-09-23 US disclosed
US-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-07-31 US disclosed
EP-1177176-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS Aventis Pharma Deutschland GmbH (DE) 2002-02-06 EP disclosed
WO-2000064876-A1 TRI-ARYL ACID DERIVATIVES AS PPAR RECEPTOR LIGANDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-11-02 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 (3 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-20030144332-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use s pharmaceuticals PNLIP, LIPC, APOB CA12 4199/4885CA1 4397/4885CA2 1995/4885
US-20040122069-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, APOB CA12 4326/4885CA1 4458/4885CA2 2051/4885
US-20050267177-A1 Diarylcycloalkyl derivatives, processes for their preparation and their use as pharmaceuticals PNLIP, LIPC, LIPA CA12 4333/4885CA1 4624/4885CA2 2260/4885

“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.