SCHEMBL10154346

SCHEMBL10154346

CNS(=O)(=O)c1ccccc1OC(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALPL P05186 2/20 0.52
SLC22A12 Q96S37 4/20 0.51
SLC40A1 Q9NP59 1/20 0.51
BRD4 O60885 1/20 0.47
MRGPRX1 Q96LB2 1/20 0.44
PTGES2 Q9H7Z7 1/20 0.42
HTR6 P50406 1/20 0.41
CNR2 P34972 2/20 0.41
KDM2B Q8NHM5 1/20 0.41
CYP1A2 P05177 1/20 0.41
AXL P30530 1/20 0.40
NR3C2 P08235 1/20 0.40
CCR1 P32246 1/20 0.40
IDH1 O75874 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
ATM Q13315 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL6735794 0.85 ALPL (0.51) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL27999788 0.84 ALPL (0.53) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL28312855 0.83 SLC22A12 (0.54) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL8229520 0.83 ALPL (0.52) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL418590 0.83 ALPL (0.52) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL2646108 0.80 ALPL (0.46) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL30549039 0.80 ALPL (0.47) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL3688266 0.80 CA12 (0.51) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL25248899 0.79 ALPL (0.49) ALPLSLC22A12SLC40A1BRD4MRGPRX1
SCHEMBL16934403 0.79 ALPL (0.46) ALPLSLC22A12SLC40A1BRD4MRGPRX1

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-8772327-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2014-07-08 US disclosed
US-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF MORITA KOHEI (JP) 2013-05-23 US disclosed
US-8334314-B2 Phenylpropionic acid derivative and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2012-12-18 US disclosed
US-20120165309-A1 HETERO RING DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-28 US disclosed
EP-2397479-A1 HETERO RING DERIVATIVE Astellas Pharma Inc. (JP) 2011-12-21 EP disclosed
WO-2010092962-A1 HETERO RING DERIVATIVE アステラス製薬株式会社 (JP) 2010-08-19 WO disclosed
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2010-04-15 US disclosed
CN-1441781-A Pharmaceutically active piperidine derivatives, in particular as modulators of chemokine receptor activity ASTRAZENECA AG (SE) 2003-09-10 CN 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-20130131134-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B ALPL 3193/4885SLC22A12 1209/4885SLC40A1 3167/4885
US-20120165309-A1 HETERO RING DERIVATIVE IL2, PIK3R2, IL2RA ALPL 2350/4885SLC22A12 2639/4885SLC40A1 4646/4885
US-20100093819-A1 PHENYLPROPIONIC ACID DERIVATIVE AND USE THEREOF PLA2G12A, PLA2G4A, PLA2G4B ALPL 3193/4885SLC22A12 1209/4885SLC40A1 3167/4885

“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.