SCHEMBL27014285

SCHEMBL27014285

COC(=O)C#Cc1ccc(-c2ccc(OC(F)F)cc2)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.41
SRD5A2 P31213 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
AKR1C3 P42330 8/20 0.38
AKR1C2 P52895 8/20 0.38
ACACB O00763 3/20 0.38
S1PR1 P21453 1/20 0.37
POLB P06746 1/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.36
KMT2A Q03164 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
AKR1C4 P17516 2/20 0.36
AKR1C1 Q04828 2/20 0.36
AKR1B10 O60218 1/20 0.36
FFAR4 Q5NUL3 1/20 0.34

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
SCHEMBL25382828 0.89 AKR1C3 (0.48) EPHX2AKR1C3AKR1C2ACACBS1PR1
SCHEMBL30593610 0.89 AKR1C3 (0.48) EPHX2AKR1C3AKR1C2ACACBS1PR1
SCHEMBL27014383 0.87 PPARG (0.44) EPHX2SRD5A2PPARGPPARAAKR1C3
SCHEMBL27014290 0.86 SRD5A2 (0.40) EPHX2SRD5A2AKR1C3AKR1C2ACACB
SCHEMBL27099623 0.86 PPARG (0.41) EPHX2SRD5A2PPARGPPARAAKR1C3
SCHEMBL27014616 0.79 SRD5A2 (0.37) EPHX2SRD5A2PPARGPPARAAKR1C3
SCHEMBL27014588 0.79 SRD5A2 (0.37) EPHX2SRD5A2PPARGPPARAAKR1C3
SCHEMBL27099617 0.77 KDM1A (0.36) SRD5A2PPARGPPARA
SCHEMBL27014624 0.77 SRD5A2 (0.34) EPHX2SRD5A2PPARGPPARAAKR1C3
SCHEMBL30593616 0.76 AKR1C3 (0.48) AKR1C3AKR1C2ACACBAKR1C4AKR1C1

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 EPHX2 3355/4885SRD5A2 4735/4885PPARG 4665/4885
US-11912679-B2 Aryl alkynamide derivatives STING1, IRF3, TBK1 EPHX2 3355/4885SRD5A2 4735/4885PPARG 4665/4885

“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.