Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30746013

FC(F)(F)c1cc(C2=CCNCC2)ccc1-c1nnc(-c2ccc(C3=CCNCC3)cc2)o1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.50
PDE3A Q14432 1/20 0.50
P2RY14 Q15391 1/20 0.43
HTR2C P28335 6/20 0.43
TBK1 Q9UHD2 1/20 0.41
QDPR P09417 3/20 0.41
SIGMAR1 Q99720 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36
NOTUM Q6P988 1/20 0.35
FTO Q9C0B1 1/20 0.35
ALOX5AP P20292 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
SCHEMBL27007790 0.92 PDE3B (0.53) PDE3BPDE3AP2RY14HTR2CQDPR
Trifluoroacetic Acid SCHEMBL30746008 0.88 P2RY14 (0.42) PDE3BPDE3AP2RY14HTR2CTBK1
Trifluoroacetic Acid SCHEMBL30745982 0.86 QDPR (0.43) PDE3BPDE3AP2RY14HTR2CTBK1
Trifluoroacetic Acid SCHEMBL30746002 0.82 ALOX5AP (0.45) PDE3BPDE3AP2RY14HTR2CTBK1
Trifluoroacetic Acid SCHEMBL30745987 0.80 P2RY14 (0.40) P2RY14HTR2CTBK1QDPRSIGMAR1
Trifluoroacetic Acid SCHEMBL30746006 0.80 PDE3B (0.51) PDE3BPDE3AP2RY14HTR2CQDPR
Trifluoroacetic Acid SCHEMBL30746012 0.79 CCNT1 (0.40) PDE3BPDE3AP2RY14HTR2CTBK1
SCHEMBL27007732 0.77 HTR2C (0.48) HTR2CQDPRSIGMAR1NPC1TP53
SCHEMBL6586606 0.76 HTR2C (0.60) PDE3BPDE3AP2RY14HTR2CQDPR
Trifluoroacetic Acid SCHEMBL27134849 0.75 PDE3B (0.48) PDE3BPDE3AP2RY14HTR2CQDPR

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.