SCHEMBL3965020

SCHEMBL3965020

O=C(CCl)N(CCCCC1CCCCC1)Cc1ccc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
RIPK1 Q13546 2/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CEL P19835 2/20 0.38
PKM P14618 4/20 0.37
HTR2A P28223 2/20 0.37
HTR2C P28335 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
OPRL1 P41146 2/20 0.36
BCHE P06276 1/20 0.36
NNMT P40261 1/20 0.35

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
SCHEMBL3968752 0.85 PKM (0.47) RIPK1PKMHTR2AMEN1KMT2A
SCHEMBL3963129 0.79 NPC1 (0.47) RIPK1HTR2ANPC1RAB9A
SCHEMBL3963243 0.79 NPC1 (0.47) RIPK1HTR2ANPC1RAB9A
SCHEMBL3956470 0.74 PPARA (0.42) PPARGPPARAHTR2A
SCHEMBL3964632 0.70 RIPK1 (0.59) RIPK1KMT2ARAB9ANNMT
SCHEMBL3965232 0.69 RAB9A (0.52) TDP1PPARGHTR2AHTR2CMEN1
SCHEMBL3963670 0.69 YAP1 (0.53) TDP1RIPK1HTR2ARAB9A
SCHEMBL16191075 0.68 HTR2A (0.58) CELHTR2AHTR2COPRL1
SCHEMBL4965873 0.68 SOAT1 (0.46) RIPK1PPARGPPARAHTR2AMEN1
SCHEMBL20767178 0.65 HTR2A (0.53) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7488844-B2 Therapeutic agents ASTRAZENECA AB (SE) 2009-02-10 US disclosed
US-20070244198-A1 Carboxylic Derivatives LI LANNA 2007-10-18 US disclosed
US-20060258866-A1 Carboxylic derivates ASTRAZENECA AB, A SWEDEN CORPORATION 2006-11-16 US disclosed
EP-1676833-A1 Propionic acid derivatives useful in the treatment of lipid disorders AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
US-20050282822-A1 Therapeutic agents ASTRAZENECA AB (SE) 2005-12-22 US disclosed
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes ASTRAZENECA AB (SE) 2005-07-07 US disclosed
WO-2004113270-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS ASTRAZENECA AB (SE) 2004-12-29 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 (4 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-20070244198-A1 Carboxylic Derivatives GPR119, CPT1A, PC TDP1 4660/4885RIPK1 1762/4885PPARG 56/4885
US-20050148656-A1 3-(amino-oxo(alkyl, alkyloxy and alkylthio)phenyl) propanoic and propenoic acid derivatives; peroxisome proliferator-activated receptors agonists; dyslipidemias with or without insulin resisitance and associated metabolic disorders (metabolic syndrome) including obesity, hypertension, type 2 diabetes GPR119, PPARA, PPARG TDP1 4412/4885RIPK1 2846/4885PPARG 3/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A TDP1 4616/4885RIPK1 2041/4885PPARG 91/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP TDP1 4364/4885RIPK1 2805/4885PPARG 228/4885

“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.