Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL241441

N[C@H]1C[C@@H](n2cnc3c(Cl)nc(Cl)nc32)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F

nearest known ligand 0.48

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 7/20 0.48
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 2/20 0.43
▸ ADORA3 P0DMS8 2/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ TMIGD3 P0DMS9 2/20 0.39
▸ HTR2C P28335 2/20 0.39
▸ HTR2B P41595 2/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90B1 P14625 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ NT5E P21589 1/20 0.38

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 SCHEMBL1412146 1.00 AHCY (0.48) AHCYLMNATP53ADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL293707 0.91 AHCY (0.56) AHCYLMNATP53ADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL5201752 0.91 AHCY (0.56) AHCYLMNATP53ADORA3ADORA2A
Trifluoroacetic Acid SCHEMBL242557 0.91 AHCY (0.56) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL243600 0.90 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL293326 0.90 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL1841287 0.90 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL293325 0.90 AHCY (0.57) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL241443 0.84 LMNA (0.42) AHCYLMNATP53ADORA3ADORA2A
SCHEMBL241442 0.84 LMNA (0.40) AHCYLMNATP53ADORA3ADORA2A

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2322525-B1 Purine derivatives for use as adenosin A2A receptor agonists NOVARTIS AG (CH) 2013-09-18 — — EP disclosed
US-8318750-B2 Organic compounds NOVARTIS AG (NL) 2012-11-27 — — US disclosed
US-8258141-B2 Organic compounds NOVARTIS AG (CH) 2012-09-04 — — US disclosed
EP-1805181-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A-2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-08-29 — — EP disclosed
US-8193164-B2 Organic compounds NOVARTIS AG (CH) 2012-06-05 — — US disclosed
US-8188100-B2 Adenosine derivatives as A2A receptor agonists NOVARTIS AG (CH) 2012-05-29 — — US disclosed
US-8163754-B2 inflammatory or obstructive airways diseases; in combination with an antiinflammatory, bronchodilatory, antihistamine or anti-tussive; N-[4-(6-Amino-2-phenethylamino-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-propionamide NOVARTIS AG (CH) 2012-04-24 — — US disclosed
EP-2013211-B1 PURINE DERIVATIVES FOR USE AS ADENOSIN A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2012-03-14 — — EP disclosed
US-20120004212-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
US-20120004247-A1 ORGANIC COMPOUNDS NOVARTIS AG 2012-01-05 — — US disclosed
EP-2066669-B1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2010-09-15 — — EP disclosed
US-20100190784-A1 Organic Compounds NOVARTIS AG 2010-07-29 — — US disclosed
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2009-12-31 — — US disclosed
US-20090281127-A1 Organic Compounds NOVARTIS AG (CH) 2009-11-12 — — US disclosed
US-20090181934-A1 Organic Compounds NOVARTIS AG 2009-07-16 — — US disclosed
US-20090105476-A1 Organic Compounds NOVARTIS AG 2009-04-23 — — US disclosed
EP-2018388-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS Novartis AG (CH) 2009-01-28 — — EP disclosed
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists NOVARTIS AG (CH) 2008-08-21 — — US disclosed
EP-1903044-A1 Adenosine Derivatives as A2A Receptor Agonists Novartis AG (CH) 2008-03-26 — — EP disclosed
WO-2007121924-A2 BISADENOSINE COMPOUNDS AS ADENOSINE A2A RECEPTOR AGONISTS NOVARTIS AG (CH) 2007-11-01 — — 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 (8 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-20090281127-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 AHCY 4831/4885LMNA 3049/4885TP53 1533/4885
US-20080200483-A1 Purine Derivatives for Use as Adenosin A-2A Receptor Agonists ADORA2A, ADORA1, ADORA3 AHCY 1262/4885LMNA 1663/4885TP53 4506/4885
US-20120004212-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 AHCY 4885/4885LMNA 3993/4885TP53 969/4885
US-20100190784-A1 Organic Compounds CYP1B1, POLR2A, CYP1A1 AHCY 4885/4885LMNA 1496/4885TP53 778/4885
US-20090105476-A1 Organic Compounds CYP3A43, SLCO1B3, CYP2C19 AHCY 4885/4885LMNA 3993/4885TP53 969/4885
US-20090325967-A1 ADENOSINE DERIVATIVES AS A2A RECEPTOR AGONISTS ADORA2A, ADORA2B, ADORA1 AHCY 2138/4885LMNA 2569/4885TP53 3227/4885
US-20090181934-A1 Organic Compounds LTB4R2, LTA4H, LTB4R AHCY 1322/4885LMNA 2511/4885TP53 3430/4885
US-20120004247-A1 ORGANIC COMPOUNDS CYP3A43, SLCO1B3, CYP2C19 AHCY 4885/4885LMNA 3993/4885TP53 969/4885

“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.