Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2672126

N[C@@H]1C[C@@H](C(=O)O)N(c2nc(N3CCN(c4ccc(Cl)cc4)CC3)nc3c2[S+]([O-])CC3)C1.O=C(O)C(F)(F)F

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ C1S P09871 2/20 0.32
▸ RAB9A P51151 1/20 0.31
▸ AKR1C3 P42330 1/20 0.31
▸ NOTUM Q6P988 1/20 0.31

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 SCHEMBL589692 0.92 SMN1; SMN2 (0.33) C1S
SCHEMBL589889 0.86 GAA (0.41) AKR1C3NOTUM
Trifluoroacetic Acid SCHEMBL9902969 0.86 MAPT (0.31) —
SCHEMBL4071829 0.86 MAPT (0.35) —
Trifluoroacetic Acid SCHEMBL2672359 0.81 — —
Trifluoroacetic Acid SCHEMBL589653 0.81 FFAR1 (0.34) C1SRAB9AAKR1C3
Trifluoroacetic Acid SCHEMBL589361 0.81 FFAR1 (0.34) C1SRAB9AAKR1C3
Trifluoroacetic Acid SCHEMBL589654 0.81 FFAR1 (0.34) C1SRAB9AAKR1C3
Trifluoroacetic Acid SCHEMBL589362 0.81 FFAR1 (0.34) C1SRAB9AAKR1C3
Trifluoroacetic Acid SCHEMBL2672365 0.81 CNR1 (0.31) RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (2 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 1094/4885RAB9A 2130/4885AKR1C3 456/4885
US-20120108534-A1 Dihydrothienopyrimidines for the treatment of inflammatory Diseases DPYD, DHFR, TPMT C1S 260/4885RAB9A 3320/4885AKR1C3 239/4885

“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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