SCHEMBL3963670

SCHEMBL3963670

CCc1ccc(CN(Cc2ccc(F)cc2F)C(=O)CCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 1/20 0.53
TEAD4 Q15561 1/20 0.53
TEAD2 Q15562 1/20 0.53
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 3/20 0.48
HTT P42858 2/20 0.48
MITF O75030 1/20 0.48
RIPK1 Q13546 2/20 0.45
GAA P10253 1/20 0.41
HTR2A P28223 4/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
POLB P06746 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
SOAT1 P35610 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSPO P30536 1/20 0.37
APEX1 P27695 1/20 0.37

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
SCHEMBL3963129 0.79 NPC1 (0.47) ALDH1A1RIPK1HTR2ASOAT1RAB9A
SCHEMBL3963243 0.79 NPC1 (0.47) ALDH1A1RIPK1HTR2ASOAT1RAB9A
SCHEMBL6411825 0.78 RIPK1 (0.48) ALDH1A1KDM4ERIPK1HTR2ATAS2R14
SCHEMBL3964632 0.76 RIPK1 (0.59) ALDH1A1KDM4EHTTRIPK1RAB9A
SCHEMBL3965232 0.75 RAB9A (0.52) ALDH1A1KDM4EGAAHTR2ATDP1
SCHEMBL24221240 0.74 RIPK1 (0.52) ALDH1A1KDM4EHTTMITFRIPK1
SCHEMBL3960780 0.73 PPARA (0.49)
SCHEMBL3956930 0.73 MAPT (0.41) ALDH1A1KDM4EHTTGAAHTR2A
SCHEMBL3968752 0.72 PKM (0.47) RIPK1HTR2ARAB9A
SCHEMBL20766978 0.71 YAP1 (0.70) YAP1TEAD4TEAD2ALDH1A1KDM4E

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-1675820-A2 PROPIONIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF LIPID DISORDERS AstraZeneca AB (SE) 2006-07-05 EP disclosed
EP-1676833-A1 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 YAP1 2472/4885TEAD4 2576/4885TEAD2 2685/4885
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 YAP1 1477/4885TEAD4 3193/4885TEAD2 3237/4885
US-20060258866-A1 Carboxylic derivates GPR119, PC, CPT1A YAP1 1372/4885TEAD4 2951/4885TEAD2 3226/4885
US-20050282822-A1 Therapeutic agents GPR119, LIPC, PNLIP YAP1 4610/4885TEAD4 3781/4885TEAD2 4187/4885

“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.