Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589894

Nc1ccc(N2CCN(c3nc4c(c(Nc5cccc(Cl)c5)n3)[S+]([O-])CC4)CC2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 2/20 0.42
▸ LMNA P02545 3/20 0.40
▸ SLC2A1 P11166 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ GPR6 P46095 7/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ WHR1 P49842 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SCN9A Q15858 3/20 0.35
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ NTRK2 Q16620 1/20 0.34
▸ CAMK2A Q9UQM7 1/20 0.34

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
SCHEMBL4063860 0.92 LMNA (0.45) LMNAALDH1A1MAPTALOX12SMN1; SMN2
SCHEMBL588907 0.88 MEN1 (0.42) LMNAMEN1KMT2ASCN9A
Trifluoroacetic Acid SCHEMBL589972 0.88 SLC2A1 (0.46) C1SSLC2A1MAPTBRD4KMT2A
SCHEMBL2912346 0.86 ABL1 (0.41) LMNAALDH1A1MAPTALOX12SMN1; SMN2
Trifluoroacetic Acid SCHEMBL591049 0.84 JAK2 (0.41) SLC2A1SCN9A
SCHEMBL4075744 0.83 LMNA (0.38) LMNAALDH1A1MAPTALOX12SMN1; SMN2
SCHEMBL590220 0.83 EGFR (0.41) ALDH1A1MAPTSMN1; SMN2BRD4MEN1
SCHEMBL589895 0.81 NPC1 (0.41) LMNASLC2A1ALDH1A1MAPTSMN1; SMN2
SCHEMBL590116 0.81 MAPT (0.43) LMNAALDH1A1MAPTBRD4MEN1
Trifluoroacetic Acid SCHEMBL15400059 0.81 MAPT (0.38) LMNASLC2A1MAPTSMN1; SMN2WHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822474-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-02 — — US disclosed
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-02 — — US disclosed
US-8604039-B2 Dihydrothienopyrimidines for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-12-10 — — US disclosed
EP-2010185-B1 DIHYDROTHIENOPYRIMIDINE FOR TREATING INFLAMMATORY DISORDERS BOEHRINGER INGELHEIM INT (DE) 2012-06-13 — — EP disclosed
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases POUZET PASCALE (US) 2012-05-03 — — US disclosed
US-8114878-B2 6,7-dihydrothieno[3,2-d]pyrimidine for the treatment of inflammatory diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-14 — — US disclosed
US-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-24 — — US disclosed
EP-1847543-A1 Dihydrothienopyrimidines for the treatment of inflammatory diseases Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2007-10-24 — — EP 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-20080096882-A1 PDE4 (Phosphodiesterase) inhibitors; respiratory diseases, gastrointestinal diseases, inflammation the joints, skin or eyes, cancers, or diseases of the peripheral or central nervous system PDE4A, PDE4B, PDE12 C1S 1094/4885LMNA 4706/4885SLC2A1 3521/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT C1S 260/4885LMNA 4713/4885SLC2A1 1535/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT C1S 245/4885LMNA 4670/4885SLC2A1 2241/4885

“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.

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