Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30746006

Cn1c(-c2ccc(C3=CCNCC3)cc2)nnc1-c1ccc(C2=CCNCC2)c(C(F)(F)F)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.51
PDE3A Q14432 2/20 0.51
P2RY14 Q15391 1/20 0.42
HTR2C P28335 5/20 0.41
HSD11B1 P28845 3/20 0.40
WDR5 P61964 1/20 0.38
QDPR P09417 3/20 0.37
DGAT1 O75907 1/20 0.36
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
KHK P50053 2/20 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
SCHEMBL27007805 0.94 PDE3B (0.53) PDE3BPDE3AP2RY14HTR2CHSD11B1
Trifluoroacetic Acid SCHEMBL30745997 0.88 P2RY14 (0.41) PDE3BPDE3AP2RY14HTR2CHSD11B1
Trifluoroacetic Acid SCHEMBL27134849 0.87 PDE3B (0.48) PDE3BPDE3AP2RY14HTR2CWDR5
Trifluoroacetic Acid SCHEMBL27126926 0.86 ALOX5AP (0.41) PDE3BPDE3AP2RY14HTR2CWDR5
Trifluoroacetic Acid SCHEMBL27134405 0.85 P2RY14 (0.41) PDE3BPDE3AP2RY14HTR2CWDR5
SCHEMBL27007675 0.82 HSD11B1 (0.43) PDE3BPDE3AHSD11B1
SCHEMBL27026763 0.81 PDE3B (0.51) PDE3BPDE3AP2RY14HTR2CWDR5
SCHEMBL27007633 0.80 PDE3B (0.47) PDE3BPDE3AP2RY14HTR2CWDR5
Trifluoroacetic Acid SCHEMBL30746013 0.80 PDE3B (0.50) PDE3BPDE3AP2RY14HTR2CQDPR
SCHEMBL27025891 0.79 HTR2C (0.44) PDE3BPDE3AHTR2CQDPRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMCIAL DIVERSITY CENTER, INC. (US) 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 (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-20240018121-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE ERG28, CYP51A1, MANBA PDE3B 1781/4885PDE3A 2859/4885P2RY14 3799/4885

“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.