Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589972

Nc1ccc(C(=O)Nc2ccc(N3CCN(c4nc5c(c(Nc6cccc(Cl)c6)n4)[S+]([O-])CC5)CC3)cc2)cn1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 5/20 0.46
▸ BRD4 O60885 1/20 0.38
▸ C1S P09871 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ CTNNB1 P35222 1/20 0.37
▸ TCF7L2 Q9NQB0 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ BTK Q06187 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ SCN9A Q15858 2/20 0.36
▸ P4HTM Q9NXG6 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.35

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
SCHEMBL589895 0.95 NPC1 (0.41) SLC2A1BRD4NPC1RAB9AKMT2A
Trifluoroacetic Acid SCHEMBL589894 0.88 C1S (0.42) SLC2A1BRD4C1SKMT2AMAPT
SCHEMBL588907 0.82 MEN1 (0.42) NPC1RAB9AKMT2ABTKSCN9A
SCHEMBL4063860 0.80 LMNA (0.45) BRD4KMT2AL3MBTL1MAPTSCN9A
Trifluoroacetic Acid SCHEMBL591049 0.79 JAK2 (0.41) SLC2A1BTKSCN9A
SCHEMBL2912346 0.78 ABL1 (0.41) KMT2AMAPTSCN9A
SCHEMBL590116 0.76 MAPT (0.43) BRD4KMT2ABTKMAPTSCN9A
Trifluoroacetic Acid SCHEMBL15400059 0.76 MAPT (0.38) SLC2A1KMT2ABTKMAPTSCN9A
SCHEMBL4075744 0.76 LMNA (0.38) BRD4NPC1RAB9AKMT2AL3MBTL1
SCHEMBL588838 0.75 MEN1 (0.42) NPC1RAB9AKMT2ABTKMAPT

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 SLC2A1 3521/4885BRD4 1084/4885C1S 1094/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT SLC2A1 1535/4885BRD4 2439/4885C1S 260/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT SLC2A1 2241/4885BRD4 2232/4885C1S 245/4885

“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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