SCHEMBL25358945

SCHEMBL25358945

CNC(Cc1cncc(C(F)(F)F)c1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
FPR2 P25090 1/20 0.40
GLS O94925 3/20 0.39
GPR132 Q9UNW8 1/20 0.39
DAO P14920 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
ACE P12821 2/20 0.38
ITGB1 P05556 1/20 0.38
ITGA4 P13612 1/20 0.38
MME P08473 1/20 0.38
CPA1 P15085 1/20 0.38
ACE2 Q9BYF1 1/20 0.38
AGBL2 Q5U5Z8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADORA2B P29275 2/20 0.37
HDAC4 P56524 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.35

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
SCHEMBL25358943 1.00 CYP11B1 (0.43) CYP11B1CYP11B2FPR2GLSGPR132
SCHEMBL25356612 0.84 ACE (0.46) FPR2ACEMMECPA1ACE2
SCHEMBL25356607 0.84 ACE (0.46) FPR2ACEMMECPA1ACE2
SCHEMBL22444732 0.81 HCAR2 (0.41) CYP11B1CYP11B2GPR132ACEITGB1
SCHEMBL31754334 0.81 HCAR2 (0.41) CYP11B1CYP11B2GPR132ACEITGB1
SCHEMBL26008494 0.80 FPR2 (0.41) FPR2TAS2R14ACEMMECPA1
SCHEMBL26008462 0.80 CTSB (0.49) CYP11B1CYP11B2ITGB1ITGA4
SCHEMBL22444621 0.79 HTR2A (0.55) FPR2KMT2A
SCHEMBL29855163 0.79 HTR2A (0.55) FPR2KMT2A
SCHEMBL22444674 0.78 HCAR2 (0.41) GPR132ACEITGB1ITGA4ACE2

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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 US claimed
US-20230257343-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2023-08-17 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 (1 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-20230257343-A1 NOVEL AMINO ACID DERIVATIVES DNPEP, BCAT1, ANPEP CYP11B1 4653/4885CYP11B2 4477/4885FPR2 1354/4885

“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.