Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4701873

CCN(CC)C(=O)c1c2cccc(-c3ccc(Cl)cc3Cl)c2nn1C.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
ALPL P05186 1/20 0.41
CRHR1 P34998 15/20 0.41
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 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
SCHEMBL3364027 0.93 ALPL (0.47) CNR1CNR2ALPLCRHR1GABRA2
Trifluoroacetic Acid SCHEMBL4700422 0.88 CRHR1 (0.47) CRHR1
SCHEMBL3367293 0.87 CRHR1 (0.48) CNR1CNR2ALPLCRHR1
Trifluoroacetic Acid SCHEMBL4698869 0.87 KDM4E (0.40) CNR1CNR2ALPLCRHR1
SCHEMBL3363721 0.85 CRHR1 (0.50) CRHR1
SCHEMBL14206617 0.84 CRHR1 (0.43) CNR1CNR2ALPLCRHR1
SCHEMBL3368898 0.84 CRHR1 (0.50) ALPLCRHR1
SCHEMBL3367449 0.82 CRHR1 (0.46) CNR1ALPLCRHR1
SCHEMBL3361888 0.81 CRHR1 (0.52) CRHR1
SCHEMBL3367536 0.80 CRHR1 (0.49) CNR1ALPLCRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP claimed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP claimed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO claimed
EP-1569911-B1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS HOFFMANN LA ROCHE (CH) 2008-07-02 EP disclosed
US-20070213373-A1 Indazole derivatives as CRF antagonists COURNOYER RICHARD L 2007-09-13 US disclosed
US-7214699-B2 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC (US) 2007-05-08 US disclosed
EP-1569911-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-09-07 EP disclosed
WO-2004050634-A1 INDAZOLE DERIVATIVES AS CRF ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-06-17 WO disclosed
US-20040110815-A1 Indazole derivatives as CRF antagonists ROCHE PALO ALTO LLC 2004-06-10 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 (2 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-20070213373-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, CRH CNR1 6/4885CNR2 14/4885ALPL 4077/4885
US-20040110815-A1 Indazole derivatives as CRF antagonists CRHR1, CRHR2, ARRB1 CNR1 9/4885CNR2 18/4885ALPL 4071/4885

“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.