Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2672176

CC(C)[C@H](CN)Nc1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S+]([O-])CC2.O=C(O)C(F)(F)F

nearest known ligand 0.36

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR6 P46095 10/20 0.36
▸ HTR3A P46098 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ CCR1 P32246 1/20 0.33
▸ OPRK1 P41145 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ SCN9A Q15858 1/20 0.32
▸ C1S P09871 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 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
SCHEMBL2672027 0.92 HTR3A (0.36) HTR3AHRH4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL15400550 0.87 GPR6 (0.37) GPR6HRH4CCR1C1SMEN1
SCHEMBL3046733 0.85 HTR3A (0.36) HTR3AHRH4SMN1; SMN2
SCHEMBL3046737 0.85 HTR3A (0.36) HTR3AHRH4SMN1; SMN2
Trifluoroacetic Acid SCHEMBL15808556 0.84 SLC2A1 (0.35) GPR6
Trifluoroacetic Acid SCHEMBL2672412 0.83 GPR6 (0.36) GPR6CCR1FPR2SCN9AMEN1
Trifluoroacetic Acid SCHEMBL590103 0.82 MEN1 (0.37) GPR6CCR1FPR2SCN9AC1S
Trifluoroacetic Acid SCHEMBL17019874 0.81 CYP11B2 (0.34) GPR6
SCHEMBL3702612 0.80 HRH4 (0.39) HTR3AHRH4CCR1
SCHEMBL3052760 0.80 CCR1 (0.38) HTR3AHRH4CCR1OPRK1SMN1; SMN2

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 5 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
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-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

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 GPR6 581/4885HTR3A 2668/4885HRH4 69/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT GPR6 649/4885HTR3A 2534/4885HRH4 12/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT GPR6 83/4885HTR3A 1031/4885HRH4 17/4885

“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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