Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3529301

CS(=O)(=O)NCC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.40
ITGB3 P05106 2/20 0.39
ITGA2B P08514 2/20 0.39
F2 P00734 2/20 0.39
TSHR P16473 2/20 0.38
CHRM3 P20309 2/20 0.36
GNAI3 P08754 1/20 0.36
GNAO1 P09471 1/20 0.36
GNAI1 P63096 1/20 0.36
SLC2A1 P11166 1/20 0.35
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
EPHX1 P07099 1/20 0.35
EPHX2 P34913 1/20 0.35
GABRA5 P31644 3/20 0.34
GABRA1 P14867 2/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRG2 P18507 1/20 0.34
NFKB1 P19838 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
SCHEMBL122137 0.85 ALOX15 (0.42) ALOX15ITGB3ITGA2BTSHRGNAI3
Hydrochloric Acid SCHEMBL26599945 0.84 GNAI3 (0.43) ALOX15ITGB3ITGA2BTSHRGNAI3
Trifluoroacetic Acid SCHEMBL4007510 0.78 ALOX15 (0.53) ALOX15F2TSHRCHRM3GNAI3
Trifluoroacetic Acid SCHEMBL3522640 0.76 ALOX15 (0.47) ALOX15ITGB3ITGA2BF2TSHR
Trifluoroacetic Acid SCHEMBL4355414 0.76 EPHX1 (0.40) ITGB3ITGA2BTSHRGNAI3GNAO1
SCHEMBL321293 0.75 GABRA5 (0.41) ALOX15TSHRGNAI3GNAO1GNAI1
SCHEMBL1348800 0.75 GABRA5 (0.41) ALOX15TSHRGNAI3GNAO1GNAI1
SCHEMBL10059949 0.75 GABRA5 (0.41) ALOX15TSHRGNAI3GNAO1GNAI1
Trifluoroacetic Acid SCHEMBL30931805 0.74 GABRA5 (0.38) ITGB3ITGA2BF2TSHRCHRM3
Trifluoroacetic Acid SCHEMBL28974434 0.74 GABRA1 (0.40) ITGB3ITGA2BTSHRGNAI3GNAO1

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
CN-101684091-A cannabinoid receptor ligands SCHERING CORP 2010-03-31 CN disclosed
US-7645774-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-01-12 US disclosed
CN-100567266-C Cannabinoid receptor ligands SCHERING CORP (US) 2009-12-09 CN disclosed
US-7071213-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2006-07-04 US disclosed
US-20050282861-A1 Cannabinoid receptor ligands MERCK SHARP & DOHME CORP. 2005-12-22 US disclosed
CN-1585749-A Cannabinoid receptor ligands SCHERING CORP (US) 2005-02-23 CN disclosed
EP-1444203-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2004-08-11 EP disclosed
US-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases SCHERING CORPORATION 2004-01-15 US disclosed
WO-2003042174-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2003-05-22 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 (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-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases IL5, IL2, TLR1 ALOX15 903/4885ITGB3 3957/4885ITGA2B 3307/4885
US-20050282861-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 ALOX15 695/4885ITGB3 2171/4885ITGA2B 2050/4885

“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.