Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2197595

CCC[C@@H](C)Oc1nc2nc(OC)nc-2c(N)[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.30

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 1/20 0.30
S1PR1 P21453 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 SCHEMBL567278 1.00 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL2202675 1.00 S1PR4 (0.30) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL20548257 0.94 S1PR4 (0.33) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL567106 0.94 S1PR4 (0.33) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL20261710 0.92
Trifluoroacetic Acid SCHEMBL566660 0.92
SCHEMBL1919728 0.89 MCHR1 (0.33)
Trifluoroacetic Acid SCHEMBL566855 0.87
Trifluoroacetic Acid SCHEMBL16872584 0.84 S1PR4 (0.32) S1PR4S1PR1
Trifluoroacetic Acid SCHEMBL565836 0.81 S1PR4 (0.33) S1PR4S1PR1

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-20120283438-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2012-11-08 US disclosed
US-20110269781-A1 COMPOUNDS GLAXOSMITHKLINE LLC (US) 2011-11-03 US disclosed
US-7977344-B2 Compounds GLAXOSMITHKLINE LLC (US) 2011-07-12 US disclosed
EP-2125792-B1 PURINE DERIVATIVES AS IMMUNOMODULATORS GLAXOSMITHKLINE LLC (US) 2010-12-01 EP disclosed
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS SMITHKLINE BEECHAM CORPORATION (US) 2010-05-13 US disclosed
US-20090131458-A1 Compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-05-21 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 (4 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-20120283438-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R S1PR4 603/4885S1PR1 480/4885
US-20090131458-A1 Compounds LTC4S, LTB4R2, LTB4R S1PR4 603/4885S1PR1 480/4885
US-20100120799-A1 PURINE DERIVATIVES AS IMMUNOMODULATORS LTC4S, STING1, LTB4R2 S1PR4 847/4885S1PR1 418/4885
US-20110269781-A1 COMPOUNDS LTC4S, LTB4R2, LTB4R S1PR4 603/4885S1PR1 480/4885

“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.