SCHEMBL27014452

SCHEMBL27014452

COC(=O)C#Cc1ccc(-c2ccccc2C(F)(F)F)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.48
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 1/20 0.41
GABRG3 Q99928 1/20 0.41
GABRQ Q9UN88 1/20 0.41

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
SCHEMBL25386053 0.83 FFAR4 (0.52) FFAR4PPARGPPARASLC13A5AR
SCHEMBL27014290 0.78 SRD5A2 (0.40) FFAR4S1PR1FFAR1
SCHEMBL8058320 0.77 FFAR1 (0.45) SMN1; SMN2LMNAMAPTTDP1FFAR1
SCHEMBL854121 0.76 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL27014285 0.76 EPHX2 (0.41) FFAR4PPARGPPARASMN1; SMN2LMNA
SCHEMBL124863 0.74 NPSR1 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL25382322 0.74 SLC6A7 (0.42) FFAR4PPARGPPARASLC13A5AR
SCHEMBL3966267 0.73 AR (0.50) FFAR4PPARGPPARASLC13A5AR
SCHEMBL25382661 0.72 NOTUM (0.44) SMN1; SMN2GABRPGABRDGABRA1GABRB1
SCHEMBL25382828 0.72 AKR1C3 (0.48) S1PR1

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-11912679-B2 Aryl alkynamide derivatives ASTELLAS PHARMA, INC. (JP) 2024-02-27 US disclosed
US-11912679-B2 Aryl alkynamide derivatives ASTELLAS PHARMA, INC. (JP) 2024-02-27 US disclosed
US-20240018113-A1 ARYL ALKYNAMIDE DERIVATIVES ASTELLAS PHARMA, INC. (JP) 2024-01-18 US disclosed
US-20240018113-A1 ARYL ALKYNAMIDE DERIVATIVES ASTELLAS PHARMA, INC. (JP) 2024-01-18 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-20240018113-A1 ARYL ALKYNAMIDE DERIVATIVES STING1, IRF3, TBK1 FFAR4 2933/4885PPARG 4665/4885PPARA 4258/4885
US-11912679-B2 Aryl alkynamide derivatives STING1, IRF3, TBK1 FFAR4 2933/4885PPARG 4665/4885PPARA 4258/4885

“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.