SCHEMBL842358

SCHEMBL842358

CC(=O)c1cccc(SC(F)(F)F)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDE5A O76074 1/20 0.43
PDE1A P54750 1/20 0.43
PDE1B Q01064 1/20 0.43
PDE1C Q14123 1/20 0.43
RXFP1 Q9HBX9 2/20 0.42
ALDH1A1 P00352 4/20 0.42
BRAF P15056 1/20 0.42
MAOB P27338 2/20 0.41
TRPV1 Q8NER1 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL26622156 0.84 LMNA (0.54) MAPK1LMNAMAPTTSHRHTT
SCHEMBL879988 0.84 CYP1A2 (0.63) MAPK1LMNAMAPTTSHRHTT
SCHEMBL29508729 0.84 CYP1A2 (0.63) MAPK1LMNAMAPTTSHRHTT
SCHEMBL10348307 0.84 LMNA (0.50) MAPK1LMNAMAPTTSHRHTT
SCHEMBL513796 0.82 LMNA (0.49) MAPK1LMNAMAPTTSHRHTT
SCHEMBL2787937 0.82 TSHR (0.53) MAPK1LMNAMAPTTSHRHTT
SCHEMBL1448525 0.82 TSHR (0.49) MAPK1LMNAMAPTTSHRHTT
SCHEMBL17714287 0.81 LOXL2 (0.47) MAPK1LMNAMAPTTSHRHTT
SCHEMBL11547697 0.81 MAPT (0.46) MAPK1LMNAMAPTTSHRHTT
SCHEMBL17812981 0.81 LMNA (0.46) MAPK1LMNAMAPTTSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2278965-B1 SUBSTITUTED PYRAZOLAMIDES AND THE USE THEREOF AICURIS GMBH & CO KG (DE) 2013-11-13 EP disclosed
EP-2176223-B1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI SA (FR) 2013-01-23 EP disclosed
US-8314089-B2 Substituted pyrazolamides and their use AICURIS GMBH & CO. KG (DE) 2012-11-20 US disclosed
US-8143242-B2 Malonamide derivatives with antithrombotic activity SANOFI-AVENTIS (FR) 2012-03-27 US disclosed
US-20110172207-A1 SUBSTITUTED PYRAZOLAMIDES AND THEIR USE AICURIS GMBH & CO. KG (DE) 2011-07-14 US disclosed
EP-2278965-A2 SUBSTITUTED PYRAZOLAMIDES AND THE USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-02-02 EP disclosed
US-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2010-09-30 US disclosed
EP-2176223-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY Sanofi-Aventis (FR) 2010-04-21 EP disclosed
WO-2009115252-A2 SUBSTITUTED PYRAZOLAMIDES AND THE USE THEREOF AICURIS GMBH & CO. KG (DE) 2009-09-24 WO disclosed
WO-2009007015-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
US-6969716-B2 5-phenyl[1,2,4]triazines as ligands for GABA-A α2/α3 receptors for treating anxiety or depression MERCK SHARP & DOHME LTD. 2005-11-29 US disclosed
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression MERCK SHARP & DOHME, LTD. (GB) 2004-09-30 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 (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-20100249101-A1 MALONAMIDE DERIVATIVES WITH ANTITHROMBOTIC ACTIVITY F7, F9, TFPI MAPK1 779/4885LMNA 546/4885MAPT 4829/4885
US-20110172207-A1 SUBSTITUTED PYRAZOLAMIDES AND THEIR USE CACNA1A, P2RX4, KCNH1 MAPK1 3105/4885LMNA 2155/4885MAPT 2703/4885
US-20040192692-A1 5-Phenyl[1,2,4]triazines as ligands for GABA-A alpha2/alpha3 receptors for treating anxiety or depression GABRA1, GABRA5, GABRA2 MAPK1 1593/4885LMNA 2323/4885MAPT 3135/4885

“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.