Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17062500

N[C@@H]1CCC[C@@H]1C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 1/20 0.43
PEPD P12955 1/20 0.41
OAT P04181 1/20 0.36
MEN1 O00255 1/20 0.34
BLM P54132 1/20 0.34
KMT2A Q03164 1/20 0.34
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
GRM3 Q14832 1/20 0.33
DGAT1 O75907 1/20 0.31
ACE P12821 1/20 0.31

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
SCHEMBL1670621 0.87
SCHEMBL420637 0.87
SCHEMBL30484837 0.87
SCHEMBL56195 0.87
SCHEMBL7738881 0.87
SCHEMBL85607 0.87
SCHEMBL2562267 0.87
SCHEMBL5346790 0.87
SCHEMBL578646 0.87
SCHEMBL420636 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200062753-A1 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2020-02-27 US disclosed
US-10428069-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2019-10-01 US disclosed
EP-3114128-B1 NOVEL 6-FUSED HETEROARYLDIHYDROPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2019-01-02 EP disclosed
US-20180370969-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-12-27 US disclosed
US-10081627-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2018-09-25 US disclosed
US-20160083383-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-03-24 US disclosed
US-9233978-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2016-01-12 US disclosed
US-20150252057-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2015-09-10 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 (6 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-20150252057-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP2D6 GABRR1 1697/4885PEPD 666/4885OAT 794/4885
US-10428069-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, CYP2D6, CYP2B6 GABRR1 1760/4885PEPD 520/4885OAT 579/4885
US-20200062753-A1 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, CYP2D6, CYP2B6 GABRR1 1760/4885PEPD 520/4885OAT 579/4885
US-20180370969-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP2D6 GABRR1 1697/4885PEPD 666/4885OAT 794/4885
US-10081627-B2 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, CYP2D6, CYP2B6 GABRR1 1760/4885PEPD 520/4885OAT 579/4885
US-20160083383-A1 Novel 6-fused heteroaryldihydropyrimidines for the treatment and prophylaxis of hepatitis B virus infection HAVCR2, CYP2B6, CYP2D6 GABRR1 1697/4885PEPD 666/4885OAT 794/4885

“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.