Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5208472

COc1cc(-c2ccc(N(C)CCN(C)c3ccc(-c4cc(OC)c(C(=O)O)c(OC)c4)nc3)cn2)cc(OC)c1C(=O)O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LTC4S Q16873 3/20 0.35
LDHA P00338 2/20 0.35
PDE4B Q07343 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
DGAT1 O75907 2/20 0.34
GPBAR1 Q8TDU6 2/20 0.34
CASR P41180 2/20 0.34
FGFR1 P11362 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
KDR P35968 1/20 0.33
FYN P06241 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL5207435 0.84 FYN (0.36) FFAR4FGFR1FYNMEN1KMT2A
SCHEMBL5205270 0.81 SUV39H2 (0.35) PDE4BFFAR4FGFR1FYN
SCHEMBL5203225 0.81 PIK3CA (0.36) PDE4BFFAR4GPBAR1FGFR1FGFR2
SCHEMBL5208926 0.79 FLT1 (0.35) FGFR1KDRFYN
SCHEMBL5204509 0.79 KDM1A (0.46) FFAR4FGFR1FGFR2FGFR4FGFR3
SCHEMBL5207615 0.79 SMPD3 (0.41) FYNKDM4E
SCHEMBL5208377 0.78 HPGD (0.34) FGFR1FYNNEK2
SCHEMBL5203600 0.77 SCN9A (0.36) PDE4BFYNKDM4E
SCHEMBL5210909 0.77 KDM1A (0.37) FGFR1FGFR2FGFR4FGFR3KDR
SCHEMBL5207852 0.77 FYN (0.43) FYNNEK2

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
EP-1403251-B1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed
US-6890940-B2 Bis(2-aryl-5-pyridyl) derivatives KOWA CO., LTD. (JP) 2005-05-10 US disclosed
EP-1403251-A1 BIS(2-ARYL-5-PYRIDYL) DERIVATIVE Kowa Co., Ltd. (JP) 2004-03-31 EP disclosed
US-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy KOWA CO., LTD. (JP) 2003-01-30 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 (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-20030022886-A1 Immoglobulin E (IgE) antibody production inhibitor; treating allergic immune diseases such as asthma, dermatitis, inflammatory bowel disease and allergic opthalmopathy IGLV6-57, IL5, IGSF11 CA12 4359/4885CA1 4674/4885CA2 2579/4885

“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.