Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2575609

O=C(O)C(F)(F)F.c1ccc2sc(C3CNC3)nc2c1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 2/20 0.55
UBE2M P61081 10/20 0.47
DCUN1D1 Q96GG9 10/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
UHRF1 Q96T88 1/20 0.45
ALDH1A1 P00352 4/20 0.45
GAA P10253 2/20 0.45
GFER P55789 1/20 0.45
TP53 P04637 2/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRM4 P08173 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.42

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
SCHEMBL10217236 0.86 KMT2A (0.71) KMT2AMEN1UBE2MDCUN1D1LMNA
Trifluoroacetic Acid SCHEMBL6072199 0.82 UBE2M (0.49) KMT2AMEN1UBE2MDCUN1D1LMNA
SCHEMBL2575610 0.73 UBE2M (0.47) KMT2AMEN1UBE2MDCUN1D1LMNA
SCHEMBL17141931 0.72 KMT2A (0.68) KMT2AMEN1UBE2MDCUN1D1LMNA
Trifluoroacetic Acid SCHEMBL10006604 0.72 CHRNA7 (0.47) CYP1A2CYP3A4CYP2C9CYP2C19
Trifluoroacetic Acid SCHEMBL7857078 0.72 POLB (0.55) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL9533470 0.71 KMT2A (0.77) KMT2AMEN1UBE2MDCUN1D1LMNA
SCHEMBL32689383 0.71 MEN1 (0.58) KMT2AMEN1UBE2MDCUN1D1LMNA
SCHEMBL2710382 0.71 KMT2A (1.00) KMT2AMEN1UBE2MDCUN1D1LMNA
Trifluoroacetic Acid SCHEMBL34467406 0.71 LMNA (0.51) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346816-B2 6,7,8,9-tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-05-24 US disclosed
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-06 US disclosed
EP-2384328-B1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM BOEHRINGER INGELHEIM INT (DE) 2013-02-13 EP disclosed
US-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-28 US disclosed
EP-2384328-A1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM Boehringer Ingelheim International GmbH (DE) 2011-11-09 EP disclosed
WO-2010060952-A1 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-03 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-20120165304-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 KMT2A 3633/4885MEN1 1938/4885UBE2M 4754/4885
US-20140066428-A1 6,7,8,9-Tetrahydro-5H-1,4,7,10a-tetraaza-cyclohept[f]indene derivatives, pharmaceutical compositions containing these compounds, their use and processes for preparing them HTR1A, HTR2C, TPH1 KMT2A 3544/4885MEN1 1988/4885UBE2M 4730/4885

“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.