SCHEMBL22040103

SCHEMBL22040103

CCn1nccc1-c1ccc(C(=O)OC)c(F)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 5/20 0.52
CTSK P43235 1/20 0.44
CTSC P53634 1/20 0.44
ABL1 P00519 2/20 0.44
SLC13A5 Q86YT5 1/20 0.41
ALK Q9UM73 1/20 0.40
NR3C2 P08235 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 2/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MET P08581 2/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL20439049 0.86 AKT1 (0.52) AKT1CTSKCTSCABL1SLC13A5
SCHEMBL20438969 0.83 AKT1 (0.50) AKT1ABL1AKT2SGK1RPS6KB1
SCHEMBL22039158 0.78 NR3C2 (0.45) AKT1NR3C2MEN1KMT2ATSHR
SCHEMBL24526720 0.78 ABL1 (0.40) AKT1ABL1SLC13A5NR3C2MEN1
SCHEMBL22643216 0.76 NISCH (0.44) AKT1CTSKCTSCABL1SLC13A5
SCHEMBL20878463 0.74 MAP3K5 (0.53) ABL1SLC13A5ALKNR3C2SRC
SCHEMBL1529778 0.73 NR3C2 (0.40) AKT1ABL1SLC13A5ALKNR3C2
SCHEMBL3602547 0.71 FAAH (0.47) NR3C2MEN1KMT2AGAARAB9A
SCHEMBL2941745 0.70 SLC6A3 (0.57) MEN1KMT2AKDM4ETSHRHSD17B10
SCHEMBL17439984 0.70 USP30 (0.56)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2022-05-03 US disclosed
US-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF GUANGZHOU LIXIN PHARMACEUTICAL CO., LTD. (CN) 2020-05-28 US 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 (2 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-20200165229-A1 POLYFLUORO-SUBSTITUTED AROMATIC HETEROCYCLIC DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND APPLICATIONS THEREOF BPHL, AR, FRK AKT1 28/4885CTSK 3760/4885CTSC 4242/4885
US-11319300-B2 Polyfluoro-substituted aromatic heterocyclic derivative, pharmaceutical composition containing same, and applications thereof AKT1, AKT2, AKT3 AKT1 1/4885CTSK 3930/4885CTSC 4249/4885

“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.