SCHEMBL3963129

SCHEMBL3963129

CCCCCCCCN(Cc1ccc(F)cc1F)C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
PAX8 Q06710 2/20 0.47
JAK2 O60674 1/20 0.47
SOAT1 P35610 3/20 0.46
ALDH1A1 P00352 2/20 0.45
TP53 P04637 2/20 0.45
GPX4 P36969 1/20 0.45
RIPK1 Q13546 2/20 0.44
SOAT2 O75908 2/20 0.41
HTR2A P28223 1/20 0.40

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
SCHEMBL3963243 1.00 NPC1 (0.47) NPC1RAB9APAX8JAK2SOAT1
SCHEMBL4965873 0.88 SOAT1 (0.46) SOAT1ALDH1A1RIPK1HTR2A
SCHEMBL4630764 0.81 SOAT1 (0.46) SOAT1ALDH1A1TP53HTR2A
SCHEMBL9154366 0.81 RIPK1 (0.57) SOAT1RIPK1
SCHEMBL3965020 0.79 TDP1 (0.41) NPC1RAB9ARIPK1HTR2A
SCHEMBL3963670 0.79 YAP1 (0.53) RAB9ASOAT1ALDH1A1RIPK1HTR2A
SCHEMBL3964632 0.76 RIPK1 (0.59) RAB9AALDH1A1RIPK1
SCHEMBL3963598 0.74 PPARA (0.42) SOAT1
SCHEMBL3965232 0.74 RAB9A (0.52) NPC1RAB9AALDH1A1HTR2A
SCHEMBL4961989 0.73 ALDH1A1 (0.50) SOAT1ALDH1A1HTR2A

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 NPC1 59/4885RAB9A 2041/4885PAX8 4783/4885
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 NPC1 845/4885RAB9A 2433/4885PAX8 4258/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A NPC1 130/4885RAB9A 2015/4885PAX8 4702/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP NPC1 14/4885RAB9A 1893/4885PAX8 4750/4885

“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.