Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL759110

O=C(Nc1ccn(Cc2ccc(OOCc3cccnc3)cc2C(F)(F)F)n1)c1c(F)cccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.62
ORAI1 Q96D31 2/20 0.62
ORAI3 Q9BRQ5 1/20 0.62
SMN1; SMN2 Q16637 7/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 5/20 0.40
NPSR1 Q6W5P4 3/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 3/20 0.40
STAT3 P40763 2/20 0.40
HPGD P15428 2/20 0.40
PKM P14618 1/20 0.40
RIPK1 Q13546 1/20 0.37
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1I Q9P0X4 1/20 0.37

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 SCHEMBL3051681 0.93 STIM1 (0.63) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL7893481 0.90 STIM1 (0.67) STIM1ORAI1ORAI3SMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL756040 0.84 STIM1 (0.66) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL757315 0.82 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL30096587 0.82 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL10241254 0.81 STIM1 (0.70) STIM1ORAI1ORAI3SMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL756529 0.81 STIM1 (0.65) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL759111 0.80 STIM1 (0.40) STIM1ORAI1ORAI3MKNK1MKNK2
SCHEMBL757600 0.80 STIM1 (0.71) STIM1ORAI1ORAI3SMN1; SMN2NPC1
SCHEMBL755388 0.80 STIM1 (0.73) STIM1ORAI1ORAI3SMN1; SMN2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 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 (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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885

“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.