Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3319861

CC1(C(=O)O)CCN(c2ccncc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.55
CYP2C9 P11712 5/20 0.55
CYP3A4 P08684 4/20 0.51
HIF1A Q16665 3/20 0.51
CYP2D6 P10635 6/20 0.50
CYP1A2 P05177 4/20 0.50
SLC2A1 P11166 3/20 0.49
CYP2C19 P33261 2/20 0.48
ITGB3 P05106 6/20 0.47
ITGA2B P08514 6/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL29514514 0.91 CYP2C9 (0.59) TSHRCYP2C9CYP3A4HIF1ACYP2D6
SCHEMBL3319867 0.80 CYP2C9 (0.54) TSHRCYP2C9CYP3A4HIF1ACYP2D6
Trifluoroacetic Acid SCHEMBL6986818 0.79 CHKA (0.63) TSHRCYP2C9CYP3A4HIF1ACYP2D6
Trifluoroacetic Acid SCHEMBL1456945 0.74 DPP4 (0.59) TSHRCYP2C9CYP3A4HIF1ACYP2D6
Trifluoroacetic Acid SCHEMBL1648792 0.74 ITGB3 (0.56) SLC2A1CYP2C19ITGB3ITGA2B
SCHEMBL15850038 0.74 AKR1C3 (0.47) CYP2C9CYP3A4CYP1A2CYP2C19SMN1; SMN2
SCHEMBL949324 0.74 MAPT (0.47) CYP2C9CYP1A2CYP2C19SMN1; SMN2ALDH1A1
SCHEMBL3315322 0.72 CYP2C9 (0.51) TSHRCYP2C9CYP3A4HIF1ACYP2D6
SCHEMBL7398141 0.72 ITGB3 (0.50) TSHRCYP2C9CYP3A4HIF1ACYP2D6
SCHEMBL641121 0.72 CYP2C9 (0.75) TSHRCYP2C9CYP3A4HIF1ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8227506-B2 Benzamidine compound AJINOMOTO., INC. (JP) 2012-07-24 US disclosed
US-20100105731-A2 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2010-04-29 US disclosed
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND AJINOMOTO CO. INC (JP) 2008-01-24 US disclosed
EP-1847527-A1 NOVEL BENZAMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-24 EP 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-20100105731-A2 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI TSHR 1617/4885CYP2C9 460/4885CYP3A4 1674/4885
US-20080021065-A1 NOVEL BENZAMIDINE COMPOUND SERPINC1, F11, TFPI TSHR 1617/4885CYP2C9 460/4885CYP3A4 1674/4885

“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.