Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1950889

COC(=O)c1ccc(F)cc1OC[C@@H](O)CNC1CCN(Cc2ccc(Cl)cc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.59

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 2/20 0.59
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
MITF O75030 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CCR3 P51677 4/20 0.46
HRH1 P35367 3/20 0.46
KCNH2 Q12809 2/20 0.42
CACNA1G O43497 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42
CCR1 P32246 1/20 0.41
ATF4 P18848 4/20 0.41
MCHR1 Q99705 1/20 0.41
CNR1 P21554 1/20 0.40

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
SCHEMBL1682971 0.95 ABCB11 (0.64) ABCB11LMNAKDM4EMEN1MITF
SCHEMBL1682972 0.95 ABCB11 (0.64) ABCB11LMNAKDM4EMEN1MITF
SCHEMBL1950891 0.87 ABCB11 (0.48) ABCB11LMNACCR3KCNH2CCR1
Trifluoroacetic Acid SCHEMBL3150378 0.87 ABCB11 (0.57) ABCB11LMNAKDM4EMEN1MITF
Trifluoroacetic Acid SCHEMBL3144395 0.86 ABCB11 (0.57) ABCB11LMNAKDM4EMEN1MITF
SCHEMBL1950572 0.85 ABCB11 (0.61) ABCB11LMNAKDM4EMEN1MITF
SCHEMBL3048642 0.82 ABCB11 (0.62) ABCB11LMNAKDM4EMEN1MITF
SCHEMBL3048644 0.82 ABCB11 (0.60) ABCB11LMNAKDM4EMEN1MITF
SCHEMBL3048648 0.82 ABCB11 (0.60) ABCB11LMNAKDM4EMEN1MITF
SCHEMBL3145540 0.82 ABCB11 (0.61) ABCB11LMNAKDM4EMEN1MITF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma ASTRAZENECA AB (SE) 2011-06-09 US disclosed
EP-2125728-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA AstraZeneca AB (SE) 2009-12-02 EP disclosed
WO-2008103125-A1 NOVEL COMBINATION OF COMPOUNDS TO BE USED IN THE TREATMENT OF AIRWAY DISEASES, ESPECIALLY CHRONIC OBSTRUCTIVE PULMONARY DISEASE (COPD) AND ASTHMA ASTRAZENECA AB (SE) 2008-08-28 WO disclosed
WO-2008096136-A1 COMBINATIONS WITH A MUSCARINIC RECEPTOR ANTAGONIST ARGENTA DISCOVERY LTD (GB) 2008-08-14 WO 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 (1 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-20110136843-A1 Novel Combination of Compounds to be Used in the Treatment of Airway Diseases, Especially Chronic Obstructive Pulmonary Disease (COPD) and Asthma CCR1, CCR5, CCR3 ABCB11 1009/4885LMNA 3862/4885KDM4E 1888/4885

“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.