Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL16799644

Brc1ccc(C2=CCNCC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.71
QDPR P09417 3/20 0.53
SIGMAR1 Q99720 2/20 0.51
P2RY14 Q15391 1/20 0.46
NAMPT P43490 1/20 0.42
KDM1A O60341 1/20 0.41
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
TSHR P16473 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRR1 P24046 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40

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 SCHEMBL19989664 0.87 SIGMAR1 (0.67) HTR2CQDPRSIGMAR1P2RY14NAMPT
Trifluoroacetic Acid SCHEMBL30182435 0.85 QDPR (0.53) HTR2CQDPRSIGMAR1P2RY14NAMPT
SCHEMBL1199051 0.84 HTR2C (1.00) HTR2CQDPRSIGMAR1NAMPTHTR2A
Trifluoroacetic Acid SCHEMBL29968193 0.83 HTR2C (0.48) HTR2CQDPRSIGMAR1P2RY14NAMPT
Trifluoroacetic Acid SCHEMBL7408751 0.83 HTR2C (0.48) HTR2CQDPRSIGMAR1P2RY14NAMPT
Trifluoroacetic Acid SCHEMBL29749858 0.83 QDPR (0.50) HTR2CQDPRSIGMAR1P2RY14NAMPT
Trifluoroacetic Acid SCHEMBL16228956 0.82 SIGMAR1 (0.51) HTR2CQDPRSIGMAR1P2RY14NAMPT
Hydrochloric Acid SCHEMBL25217174 0.82 HTR2C (1.00) HTR2CQDPRSIGMAR1HTR2AHTR7
Trifluoroacetic Acid SCHEMBL1198632 0.81 SIGMAR1 (0.50) HTR2CQDPRSIGMAR1P2RY14NAMPT
Trifluoroacetic Acid SCHEMBL22265884 0.77 SIGMAR1 (0.58) HTR2CQDPRSIGMAR1P2RY14NAMPT

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-3077387-B1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2017-12-20 EP disclosed
US-9562035-B2 Benzamide derivative useful as FASN inhibitors for the treatment of cancer JANSSEN PHARMACEUTICA NV (BE) 2017-02-07 US disclosed
EP-3077387-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER Janssen Pharmaceutica, N.V. (BE) 2016-10-12 EP disclosed
US-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2016-01-14 US disclosed
WO-2015084606-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER JANSSEN PHARMACEUTICA NV (BE) 2015-06-11 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-20160009688-A1 BENZAMIDE DERIVATIVE USEFUL AS FASN INHIBITORS FOR THE TREATMENT OF CANCER FASN, FABP1, BCL3 HTR2C 2477/4885QDPR 956/4885SIGMAR1 2451/4885

“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.