Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL589653

NC[C@H]1CCCN1c1nc(N2CCN(c3ccc(Cl)cc3)CC2)nc2c1[S+]([O-])CC2.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 2/20 0.34
▸ RAB9A P51151 1/20 0.33
▸ AKR1C3 P42330 1/20 0.32
▸ C1S P09871 1/20 0.32
▸ DPP4 P27487 3/20 0.31
▸ DPP7 Q9UHL4 3/20 0.31
▸ GPR6 P46095 4/20 0.31
▸ DPP8 Q6V1X1 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ ADRA1A P35348 1/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ ADRA1B P35368 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
Trifluoroacetic Acid SCHEMBL589361 1.00 FFAR1 (0.34) FFAR1RAB9AAKR1C3C1SDPP4
Trifluoroacetic Acid SCHEMBL589654 1.00 FFAR1 (0.34) FFAR1RAB9AAKR1C3C1SDPP4
Trifluoroacetic Acid SCHEMBL589362 1.00 FFAR1 (0.34) FFAR1RAB9AAKR1C3C1SDPP4
SCHEMBL599886 0.92 ALDH1A1 (0.34) FFAR1HTR7KCNH2
SCHEMBL4067466 0.92 ALDH1A1 (0.34) FFAR1HTR7KCNH2
SCHEMBL15400544 0.92 ALDH1A1 (0.34) FFAR1HTR7KCNH2
SCHEMBL2671724 0.92 ALDH1A1 (0.34) FFAR1HTR7KCNH2
SCHEMBL2671702 0.87 FFAR1 (0.47) FFAR1
SCHEMBL590091 0.83 CETP (0.34) AKR1C3HTR7
SCHEMBL4068882 0.83 CETP (0.36) FFAR1RAB9AHTR7

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-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
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

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 FFAR1 1621/4885RAB9A 2130/4885AKR1C3 456/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT FFAR1 1079/4885RAB9A 3320/4885AKR1C3 239/4885
US-20140005154-A1 6,7-Dihydrothieno[3,2-d]pyrimidine for the Treatment of Inflammatory Diseases DPYD, TYMS, TPMT FFAR1 1017/4885RAB9A 3267/4885AKR1C3 328/4885

“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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