Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL868947

Cc1cccc(CC(=O)O)n1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
GAA P10253 2/20 0.40
P2RX7 Q99572 1/20 0.39
FFAR1 O14842 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 2/20 0.38
KDM4E B2RXH2 2/20 0.38
SORT1 Q99523 1/20 0.37
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 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
SCHEMBL869497 0.90 KMT2A (0.53) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL29684288 0.90 KMT2A (0.53) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL868948 0.77 MEN1 (0.46) KMT2AMEN1OPRM1OPRD1GAA
SCHEMBL4495296 0.76 AKR1B1 (0.48) GAAMAPTSMN1; SMN2KDM4ETDP1
SCHEMBL28631700 0.76 KMT2A (0.47) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL17743752 0.76 FFAR1 (0.52) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL6900384 0.75 P2RX7 (0.46) KMT2AMEN1OPRM1OPRD1P2RX7
SCHEMBL868879 0.75 P2RX7 (0.50) P2RX7SMN1; SMN2KDM4E
SCHEMBL29755971 0.75 P2RX7 (0.50) P2RX7SMN1; SMN2KDM4E
SCHEMBL6510299 0.74 P2RX7 (0.49) KMT2AMEN1OPRM1OPRD1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2549868-B1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2015-01-07 EP disclosed
CN-102917588-B Chemical compounds GLAXOSMITHKLINE LLC (US) 2014-10-08 CN disclosed
US-8598156-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2013-12-03 US disclosed
EP-2549868-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2013-01-30 EP disclosed
US-20130018038-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2013-01-17 US disclosed
US-20120077828-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC 2012-03-29 US disclosed
WO-2011119663-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-09-29 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-20130018038-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KMT2A 4398/4885MEN1 1863/4885OPRM1 1169/4885
US-20120077828-A1 CHEMICAL COMPOUNDS BRCA1, IRS1, IGF1R KMT2A 4398/4885MEN1 1863/4885OPRM1 1169/4885

“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.