Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6846480

O=C(NCCc1cccc2c1OC(F)(F)O2)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.44
TRPV1 Q8NER1 4/20 0.43
HIF1A Q16665 1/20 0.42
NPC1 O15118 4/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 2/20 0.40
NQO2 P16083 1/20 0.40
MTNR1B P49286 1/20 0.40
ADORA2A P29274 1/20 0.40
ESRRG P62508 1/20 0.40
RORC P51449 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39

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 SCHEMBL15568421 0.72 MLYCD (0.78) MLYCDNPC1RAB9AMEN1KMT2A
SCHEMBL23207415 0.70 ADORA2A (0.48) NPC1RAB9AMEN1KMT2AMTNR1A
SCHEMBL5330644 0.69 MPO (0.40) MTNR1AADORA2ARORC
SCHEMBL34463082 0.66 MPO (0.43) ADORA2A
SCHEMBL1813320 0.66 RAB9A (0.60) HIF1ANPC1RAB9AMEN1KMT2A
SCHEMBL34462978 0.66 MPO (0.43) ADORA2A
SCHEMBL22819340 0.66 TSHR (0.44) KMT2AADORA2A
SCHEMBL2663368 0.66 MPO (0.41) ADORA2ARORC
SCHEMBL7651499 0.66 MPO (0.41) ADORA2ARORC
Trifluoroacetic Acid SCHEMBL22121275 0.66 MLYCD (0.56) MLYCDNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US claimed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP claimed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US claimed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 WO claimed

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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MLYCD 2655/4885TRPV1 2172/4885HIF1A 536/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA MLYCD 2655/4885TRPV1 2172/4885HIF1A 536/4885

“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.