Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL167491

COc1ccc(Cl)cc1NC(=O)Nc1cccc2c1CCN2.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
MEN1 O00255 7/20 0.50
IGF1R P08069 6/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
GRIK1 P39086 1/20 0.47
POLB P06746 1/20 0.45
ALDH1A1 P00352 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C19 P33261 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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 SCHEMBL165260 0.94 IGF1R (0.44) KMT2AMEN1IGF1RKDM4EMAPT
SCHEMBL167730 0.93 MEN1 (0.57) KMT2AMEN1IGF1RKDM4EMAPT
SCHEMBL15077842 0.86 IGF1R (0.48) KMT2AMEN1IGF1RKDM4EMAPT
SCHEMBL174473 0.83 MEN1 (0.55) KMT2AMEN1IGF1RKDM4EMAPT
SCHEMBL173758 0.80 SMN1; SMN2 (0.53) KMT2AMEN1KDM4EMAPTPOLB
SCHEMBL167492 0.79 SHMT2 (0.40) KMT2AMEN1IGF1RKDM4EMAPT
SCHEMBL27807412 0.77 MAPT (0.51) KMT2AMEN1KDM4EMAPTLMNA
SCHEMBL165261 0.73 SHMT2 (0.35) KMT2AMEN1IGF1RKDM4EMAPT
SCHEMBL175118 0.72 RAB9A (0.58) KMT2AMEN1MAPTLMNAGRIK1
SCHEMBL175262 0.71 SMN1; SMN2 (0.55) KMT2AMEN1KDM4EMAPTPOLB

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
EP-2611806-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Ascepion Pharmaceuticals, Inc. (CN) 2013-07-10 EP disclosed
US-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2013-06-27 US disclosed
WO-2012028106-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS ASCEPION PHARMACEUTICALS, INC. (CN) 2012-03-08 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 (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-20130165475-A1 DEUTERIUM-ENRICHED HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK2, CDK1, CDK3 KMT2A 834/4885MEN1 3044/4885IGF1R 1639/4885

“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.