Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL19947246

O=C(O)C(F)(F)F.OCC1CCCN(C2CCNCC2)C1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR2 P41597 5/20 0.37
KCNH2 Q12809 4/20 0.37
EPHX2 P34913 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CHRM3 P20309 2/20 0.35
ITGB3 P05106 3/20 0.35
ITGA2B P08514 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TYMP P19971 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
F2R P25116 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL1901721 0.87 TYMP (0.38) MEN1KMT2ACCR2KCNH2ALDH1A1
SCHEMBL19947248 0.80 BCHE (0.40) MEN1KMT2ACCR2KCNH2ITGB3
Trifluoroacetic Acid SCHEMBL3335491 0.78 DPP4 (0.35) KCNH2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3335481 0.78 DPP4 (0.35) KCNH2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL3338294 0.78 DPP4 (0.35) KCNH2ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL29823097 0.77 HPGD (0.40) KMT2AITGB3ITGA2BSMN1; SMN2L3MBTL3
Trifluoroacetic Acid SCHEMBL30528682 0.76 CCR2 (0.40) MEN1KMT2ACCR2KCNH2ALDH1A1
SCHEMBL24183650 0.76 HTR6 (0.32) CCR2KCNH2L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL30528663 0.75 MEN1 (0.37) MEN1KMT2ACCR2KCNH2ALDH1A1
Trifluoroacetic Acid SCHEMBL994467 0.74 GABRP (0.35) L3MBTL3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10246462-B2 Chemokine receptor modulators and uses thereof FLX BIO, INC. (US) 2019-04-02 US disclosed
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF RAPT THERAPEUTICS, INC. 2018-03-15 US disclosed
WO-2018049271-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF FLX BIO, INC. (US) 2018-03-15 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-10246462-B2 Chemokine receptor modulators and uses thereof ACKR3, CCR5, CXCR3 MEN1 4834/4885KMT2A 4753/4885CCR2 5/4885
US-20180072743-A1 CHEMOKINE RECEPTOR MODULATORS AND USES THEREOF ACKR3, CCR5, CXCR3 MEN1 4834/4885KMT2A 4753/4885CCR2 5/4885

“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.