SCHEMBL25938593

SCHEMBL25938593

CC(C)c1nc(C2CC2)cc(Br)c1F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 1/20 0.37
HDAC4 P56524 1/20 0.33
TLR9 Q9NR96 2/20 0.32
TLR8 Q9NR97 2/20 0.32
TLR7 Q9NYK1 2/20 0.32
EED O75530 1/20 0.32
HMGCR P04035 1/20 0.31
TRPV3 Q8NET8 1/20 0.30
CXCR2 P25025 1/20 0.30
IDO1 P14902 1/20 0.30
KDM4E B2RXH2 1/20 0.30
KMT2A Q03164 1/20 0.30
RAPGEF3 O95398 1/20 0.30

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
SCHEMBL25928257 0.80 TLR9 (0.34) PPARATLR9TLR8TLR7TRPV3
SCHEMBL25938589 0.80 PPARA (0.39) PPARAHDAC4TLR9TLR8TLR7
SCHEMBL25928404 0.75 PPARA (0.34) PPARAHDAC4KDM4EKMT2A
SCHEMBL25928010 0.74 PPARA (0.36) PPARATLR9TLR8TLR7TRPV3
SCHEMBL25938632 0.73 PPARA (0.32) PPARATRPV3KDM4EKMT2A
SCHEMBL25938596 0.73 PPARA (0.32) PPARATLR9TLR8TLR7
SCHEMBL25928195 0.73 TLR8 (0.30) TLR8
SCHEMBL25928102 0.73 PPARA (0.31) PPARAKDM4E
SCHEMBL25938590 0.71 PTGS1 (0.33) PPARATLR9TLR8TLR7IDO1
SCHEMBL25938599 0.71 PPARA (0.30) PPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. 2023-11-09 US disclosed
US-11718626-B2 Macrocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-08-08 US disclosed
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-07-25 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 (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-11718626-B2 Macrocyclic compounds for treatment of medical disorders CFD, TFPI, CFH PPARA 4791/4885HDAC4 2213/4885TLR9 2684/4885
US-11708351-B2 Aryl, heteroaryl, and heterocyclic pharmaceutical compounds for treatment of medical disorders CFD, TFPI, CFH PPARA 3961/4885HDAC4 2100/4885TLR9 3407/4885
US-20230357199-A1 ARYL, HETEROARYL, AND HETEROCYCLIC PHARMACEUTICAL COMPOUNDS FOR TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH PPARA 3961/4885HDAC4 2100/4885TLR9 3407/4885

“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.