Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3624358

N#Cc1cc(-c2ccnc(Nc3cccc(S(=O)(=O)N4CCOCC4)c3)c2)[nH]c1N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
EPHX2 P34913 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CDK9 P50750 1/20 0.40
CCNH P51946 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
PRKD1 Q15139 2/20 0.40
PRKD2 Q9BZL6 2/20 0.40
ERBB2 P04626 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL13408180 0.94 IKBKB (0.44) KMT2AMEN1ATMPOLBPKM
Trifluoroacetic Acid SCHEMBL3614134 0.92 IKBKB (0.41) EPHX2CCNT1CCNA2CDK2CDK9
SCHEMBL13442268 0.86 MEN1 (0.43) KMT2AMEN1ATMPOLBPKM
SCHEMBL4007588 0.85 MEN1 (0.48) KMT2AMEN1ATMPOLBPKM
SCHEMBL13408178 0.85 IKBKB (0.46) CCNT1CCNA2CDK2CDK9IKBKB
Trifluoroacetic Acid SCHEMBL3618061 0.84 IKBKB (0.41) KMT2AMEN1CDK9IKBKBCHUK
SCHEMBL3621519 0.84 MEN1 (0.48) KMT2AMEN1ATMPOLBPKM
SCHEMBL14282905 0.82 MEN1 (0.45) KMT2AMEN1ATMPOLBPKM
Trifluoroacetic Acid SCHEMBL3609037 0.82 TYK2 (0.41) CCNT1CDK9PRKD1PRKD2L3MBTL1
SCHEMBL3624360 0.82 ATM (0.42) KMT2AMEN1ATMPOLBPKM

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-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US claimed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP claimed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 WO claimed
US-20100105664-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-04-29 US disclosed
EP-2069333-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES Novartis Ag (CH) 2009-06-17 EP disclosed
WO-2008034600-A1 PYRROLE DERIVATIVES USEFUL FOR THE TREATMENT OF CYTOKINE-MEDIATED DISEASES NOVARTIS AG (CH) 2008-03-27 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-20100105664-A1 ORGANIC COMPOUNDS SLCO1B3, SLCO1B1, SLC10A6 KMT2A 2993/4885MEN1 420/4885ATM 3752/4885

“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.