SCHEMBL3964632

SCHEMBL3964632

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 7/20 0.59
ALDH1A1 P00352 5/20 0.47
HTT P42858 4/20 0.47
RAB9A P51151 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAOB P27338 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
NNMT P40261 1/20 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
SCHEMBL5644735 0.77 RIPK1 (0.54) RIPK1ALDH1A1RAB9AKMT2AMAOB
SCHEMBL3963670 0.76 YAP1 (0.53) RIPK1ALDH1A1HTTRAB9ASMN1; SMN2
SCHEMBL5647030 0.76 KMT2A (0.58) RIPK1KMT2A
SCHEMBL3963243 0.76 NPC1 (0.47) RIPK1ALDH1A1RAB9A
SCHEMBL3963129 0.76 NPC1 (0.47) RIPK1ALDH1A1RAB9A
SCHEMBL5643407 0.75 RIPK1 (0.56) RIPK1ALDH1A1HTTKMT2AMAOB
SCHEMBL17882283 0.75 RIPK1 (1.00) RIPK1
SCHEMBL31098564 0.75 RIPK1 (0.63) RIPK1ALDH1A1KMT2AKDM4EMAOB
SCHEMBL6856773 0.74 RIPK1 (0.53) RIPK1ALDH1A1KMT2AKDM4ESLC6A2
SCHEMBL5646227 0.74 RIPK1 (0.54) RIPK1ALDH1A1HTTRAB9AKMT2A

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 RIPK1 1762/4885ALDH1A1 323/4885HTT 3936/4885
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 RIPK1 2846/4885ALDH1A1 1343/4885HTT 4094/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A RIPK1 2041/4885ALDH1A1 230/4885HTT 3674/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP RIPK1 2805/4885ALDH1A1 1921/4885HTT 3393/4885

“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.