Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL314788

Cc1cccc(-c2nnc3n2-c2cc(Cl)ccc2NC[C@H]3C)n1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 6/20 0.42
TNKS O95271 4/20 0.42
P2RX7 Q99572 3/20 0.39
TACR3 P29371 3/20 0.36
KCNH2 Q12809 2/20 0.36
ERG P11308 1/20 0.36
TPH1 P17752 1/20 0.34
GPR6 P46095 3/20 0.33
AVPR2 P30518 1/20 0.33
OXTR P30559 1/20 0.33
C1S P09871 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
TACR2 P21452 1/20 0.33
TACR1 P25103 1/20 0.33
CYP2C19 P33261 1/20 0.33
AVPR1A P37288 1/20 0.32

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
SCHEMBL314041 0.91 TNKS2 (0.40) TNKS2TNKSP2RX7TACR3KCNH2
SCHEMBL314043 0.91 TNKS2 (0.40) TNKS2TNKSP2RX7TACR3KCNH2
SCHEMBL314042 0.91 TNKS2 (0.40) TNKS2TNKSP2RX7TACR3KCNH2
Trifluoroacetic Acid SCHEMBL314380 0.84 GPR6 (0.33) TNKS2TACR3GPR6TACR2TACR1
Trifluoroacetic Acid SCHEMBL314381 0.84 GPR6 (0.33) TNKS2TACR3GPR6TACR2TACR1
SCHEMBL314133 0.83 TNKS2 (0.40) TNKS2TNKSP2RX7TACR3KCNH2
SCHEMBL314713 0.83 TNKS2 (0.40) TNKS2TNKSP2RX7TACR3KCNH2
SCHEMBL314365 0.83 TNKS2 (0.40) TNKS2TNKSP2RX7TACR3KCNH2
Trifluoroacetic Acid SCHEMBL314137 0.82 ALDH1A1 (0.42) P2RX7GPR6
Trifluoroacetic Acid SCHEMBL314138 0.82 ALDH1A1 (0.42) P2RX7GPR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP claimed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP claimed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 US claimed
EP-1966211-B1 TRIAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2012-12-26 EP disclosed
US-8093240-B2 Triazole derivatives MERCK PATENT GMBH (DE) 2012-01-10 US disclosed
EP-2322527-A1 Triazole derivatives Merck Patent GmbH (DE) 2011-05-18 EP disclosed
US-20080306042-A1 Triazole Derivatives MERCK PATENT GMBH (DE) 2008-12-11 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-20080306042-A1 Triazole Derivatives TGFBR1, TGFBR2, SMAD3 TNKS2 630/4885TNKS 534/4885P2RX7 3204/4885

“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.