Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL757058

O=C(Nc1ccn(Cc2cc(OCc3ccccn3)ccc2Cl)n1)c1c(F)cccc1F.O=C(O)C(F)(F)F

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.52
ORAI1 Q96D31 2/20 0.52
ORAI3 Q9BRQ5 1/20 0.52
SMN1; SMN2 Q16637 7/20 0.47
LMNA P02545 5/20 0.47
NPSR1 Q6W5P4 5/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
HTT P42858 2/20 0.47
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTGER1 P34995 4/20 0.45
ALDH1A1 P00352 4/20 0.45
STAT3 P40763 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL7893967 0.95 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL756529 0.89 STIM1 (0.65) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758338 0.86 SMN1; SMN2 (0.59) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL7893849 0.86 STIM1 (0.69) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL756524 0.86 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758508 0.84 STIM1 (0.54) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL761190 0.81 STIM1 (0.49) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL754976 0.80 STIM1 (0.53) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL758366 0.80 STIM1 (0.56) STIM1ORAI1ORAI3SMN1; SMN2LMNA
SCHEMBL757529 0.80 STIM1 (0.52) STIM1ORAI1ORAI3SMN1; SMN2LMNA

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-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
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 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-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“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.