Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3273676

NCCN1CCNC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
RET P07949 1/20 0.38
KDR P35968 1/20 0.38
PDK2 Q15119 1/20 0.36

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
Trichloroacetic Acid SCHEMBL11182990 0.89 ALDH1A1 (0.41) ALDH1A1KDM4ELMNARAB9AKMT2A
SCHEMBL27780 0.84
Ammonia Solution, Strong SCHEMBL1579773 0.82 ALDH1A1 (0.43) ALDH1A1KDM4ELMNARAB9AKMT2A
SCHEMBL20656243 0.76 SCN9A (0.40) ALDH1A1KDM4ELMNARAB9AKMT2A
SCHEMBL9348603 0.74 RAB9A (0.42) ALDH1A1KDM4ELMNARAB9AKMT2A
SCHEMBL1446364 0.73 ALDH1A1 (0.42) ALDH1A1KDM4ELMNARAB9AKMT2A
SCHEMBL1446337 0.73 SMN1; SMN2 (0.46) ALDH1A1KDM4ELMNAPOLBCYP1A2
SCHEMBL2034646 0.73
SCHEMBL8406068 0.73 ALOX15 (0.48) ALDH1A1KDM4EPOLBCYP1A2CYP3A4
SCHEMBL11507005 0.72 ALDH1A1 (0.39) ALDH1A1KDM4ELMNARAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100087396-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 BERG STEFAN 2010-04-08 US disclosed
US-7595321-B2 Compounds having selective inhibiting effect at GSK3 ASTRAZENECA AB (SE) 2009-09-29 US disclosed
CN-100360522-C Novel compounds having selective inhibiting effect at GSK3 ASTRAZENECA AB (SE) 2008-01-09 CN disclosed
EP-1575942-B1 COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2007-05-02 EP disclosed
US-20060116385-A1 Novel compounds having selective inhibiting effect at gsk3 ASTRAZENECA AB (SE) 2006-06-01 US disclosed
CN-1726210-A Novel compounds having selective inhibiting effect at GSK3 ASTRAZENECA AB (SE) 2006-01-25 CN disclosed
EP-1575942-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 AstraZeneca AB (SE) 2005-09-21 EP disclosed
WO-2004055009-A1 NOVEL COMPOUNDS HAVING SELECTIVE INHIBITING EFECT AT GSK3 ASTRAZENECA AB (SE) 2004-07-01 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-20100087396-A1 Novel Compounds Having Selective Inhibiting Effect at GSK3 GSK3B, GSK3A, NR5A2 ALDH1A1 4583/4885KDM4E 1330/4885LMNA 1801/4885
US-20060116385-A1 Novel compounds having selective inhibiting effect at gsk3 GSK3B, GSK3A, NR5A2 ALDH1A1 4529/4885KDM4E 1106/4885LMNA 2154/4885

“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.