Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL994467

O=C(O)C(F)(F)F.OC1CN(C2CCNCC2)C1

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
PMP22 Q01453 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35
ARG1 P05089 1/20 0.34
ARG2 P78540 1/20 0.34

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 SCHEMBL5901557 0.85 L3MBTL3 (0.35) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL2673794 0.83 KMT2A (0.32) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL27195446 0.83 KMT2A (0.32) GABRPGABRDGABRA1TSHRGABRB1
Trifluoroacetic Acid SCHEMBL29823097 0.82 HPGD (0.40) GABRPGABRDGABRA1TSHRGABRB1
Hydrochloric Acid SCHEMBL15017565 0.81 HPGD (0.35) GABRPGABRDGABRA1TSHRGABRB1
Hydrochloric Acid SCHEMBL29133368 0.81 HPGD (0.35) GABRPGABRDGABRA1TSHRGABRB1
Trifluoroacetic Acid SCHEMBL21816680 0.81 DPP8 (0.33) GABRPGABRDGABRA1TSHRGABRB1
Trifluoroacetic Acid SCHEMBL21816764 0.81 KDM4E (0.44) GABRPGABRDGABRA1TSHRGABRB1
Trifluoroacetic Acid SCHEMBL3338294 0.80 DPP4 (0.35) GABRPGABRDGABRA1TSHRGABRB1
Trifluoroacetic Acid SCHEMBL3335481 0.80 DPP4 (0.35) GABRPGABRDGABRA1TSHRGABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 US disclosed
EP-2205610-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. Hoffmann-Roche AG (CH) 2010-07-14 EP disclosed
WO-2009053715-A1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB GABRP 1425/4885GABRD 3079/4885GABRA1 3403/4885

“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.