Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30745994

Fc1cc(C2=CCNCC2)ccc1-c1nnc(-c2ccc(C3=CCNCC3)cc2F)n1Cc1ccccc1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.43
HTR6 P50406 2/20 0.41
KHK P50053 4/20 0.39
HTR2C P28335 4/20 0.39
SIGMAR1 Q99720 1/20 0.38
P2RY14 Q15391 1/20 0.38
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
QDPR P09417 1/20 0.37
PTGES2 Q9H7Z7 2/20 0.36
PTGES O14684 1/20 0.36
TBXAS1 P24557 1/20 0.36
NAMPT P43490 1/20 0.36
FTO Q9C0B1 1/20 0.36
MMP2 P08253 1/20 0.36
MMP3 P08254 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL30745990 0.99 BRD4 (0.43) BRD4HTR6KHKHTR2CSIGMAR1
SCHEMBL27007639 0.92 HTR6 (0.45) BRD4HTR6KHKHTR2CSIGMAR1
SCHEMBL27007956 0.92 HTR6 (0.47) BRD4HTR6KHKHTR2CSIGMAR1
Trifluoroacetic Acid SCHEMBL30746015 0.87 ALOX5AP (0.41) KHKHTR2CSIGMAR1P2RY14ALOX5AP
Trifluoroacetic Acid SCHEMBL30745992 0.87 P2RY14 (0.41) KHKHTR2CSIGMAR1P2RY14ALOX5AP
Trifluoroacetic Acid SCHEMBL27126561 0.84 ALOX5AP (0.39) BRD4KHKHTR2CP2RY14ALOX5AP
Trifluoroacetic Acid SCHEMBL27128175 0.84 QDPR (0.39) KHKHTR2CP2RY14ALOX5APFEN1
Trifluoroacetic Acid SCHEMBL27134405 0.84 P2RY14 (0.41) KHKHTR2CSIGMAR1P2RY14ALOX5AP
Trifluoroacetic Acid SCHEMBL30746019 0.82 P2RY14 (0.39) KHKHTR2CSIGMAR1P2RY14ALOX5AP
Trifluoroacetic Acid SCHEMBL27148687 0.81 QDPR (0.37) BRD4KHKHTR2CP2RY14ALOX5AP

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 BRD4 1389/4885HTR6 3566/4885KHK 1719/4885

“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.