Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3105083

COCCNCc1c(C(=O)c2ccc(Cl)cc2Cl)oc2cc(-c3cccc(CNS(C)(=O)=O)c3)ccc12.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR1B P47901 1/20 0.36
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
SRC P12931 1/20 0.35
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
RORC P51449 1/20 0.34
LIPG Q9Y5X9 2/20 0.33
AAK1 Q2M2I8 1/20 0.33
HTR5A P47898 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
CYP19A1 P11511 1/20 0.33
HTT P42858 1/20 0.33
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL13155447 0.87 IGF1R (0.39) IGF1RMETSRCAURKAAURKB
SCHEMBL3105095 0.86 POLB (0.33) AVPR1BHTR5AHTTNPC1RAB9A
SCHEMBL3096800 0.85 CYP1A2 (0.41) HTTFLT1FLT4KDRNPC1
SCHEMBL3093653 0.81 AURKA (0.41) IGF1RMETSRCAURKAAURKB
SCHEMBL3559001 0.80 MCL1 (0.41) IGF1RMETSRCAURKAAURKB
SCHEMBL3319448 0.80 AAK1 (0.40) IGF1RMETSRCAURKAAURKB
SCHEMBL3098577 0.78 TMEM97 (0.39) IGF1RMETSRCAURKAAURKB
SCHEMBL3098497 0.76 HPGD (0.45) HTTFLT1FLT4KDRNPC1
SCHEMBL3092625 0.75 NPC1 (0.43) AURKAAURKBLIPGCYP19A1NPC1
SCHEMBL3105125 0.74 NPC1 (0.41) AAK1NPC1RAB9ARAF1MAP2K1

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-7803956-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2010-09-28 US disclosed
US-7659412-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER HEALTHCARE LLC (US) 2010-02-09 US disclosed
US-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-11-26 US disclosed
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS ZHANG CHENGZHI 2009-01-22 US disclosed
US-7420066-B2 Benzofuran derivatives useful for treating hyper-proliferative disorders BAYER PHARMACEUTICALS CORPORATION (US) 2008-09-02 US disclosed
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders BAER PHAMACEUTICALS CORPORATION (US) 2006-08-31 US 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 (3 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-20090292014-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 AVPR1B 3455/4885IGF1R 3886/4885MET 1922/4885
US-20060194816-A1 Benzofuran derivatives useful for treating hyper-proliferative disorders MKI67, PCNA, CCNI AVPR1B 2971/4885IGF1R 3405/4885MET 2245/4885
US-20090023783-A1 BENZOFURAN DERIVATIVES USEFUL FOR TREATING HYPER-PROLIFERATIVE DISORDERS PCNA, MKI67, CDK4 AVPR1B 3455/4885IGF1R 3886/4885MET 1922/4885

“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.