Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL387475

CC(C)c1noc(N2CCC(COc3ccc(-c4ccc(S(=O)(=O)NCCc5ccncc5)cc4)cc3)CC2)n1.O=C(O)C(F)(F)F

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.55
GPR183 P32249 1/20 0.54
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
LMNA P02545 4/20 0.40
TP53 P04637 1/20 0.39
ADAMTS4 O75173 1/20 0.38
MMP13 P45452 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 2/20 0.37
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37

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
SCHEMBL870437 0.94 GPR119 (0.61) GPR119GPR183ALDH1A1SMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL387344 0.90 GPR119 (0.58) GPR119GPR183KCNH2
Trifluoroacetic Acid SCHEMBL388814 0.88 GPR119 (0.57) GPR119GPR183KCNH2
Trifluoroacetic Acid SCHEMBL388420 0.88 GPR119 (0.56) GPR119GPR183SMN1; SMN2LMNAKCNH2
Trifluoroacetic Acid SCHEMBL384442 0.87 GPR119 (0.56) GPR119GPR183ALDH1A1ADAMTS4
Trifluoroacetic Acid SCHEMBL387741 0.86 GPR119 (0.55) GPR119GPR183ALDH1A1TP53
SCHEMBL387207 0.85 GPR119 (0.66) GPR119GPR183KCNH2
SCHEMBL2883402 0.84 GPR119 (0.63) GPR119GPR183KCNH2
SCHEMBL387122 0.83 GPR119 (0.57) GPR119GPR183MMP13KCNH2
SCHEMBL870759 0.82 GPR119 (0.66) GPR119GPR183KCNH2

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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS FANG JING (US) 2012-03-29 US disclosed
US-8101634-B2 Bicyclic compounds and use as antidiabetics GLAXOSMITHKLINE LLC (US) 2012-01-24 US disclosed
EP-2325182-A1 Bicyclic compounds and use as antidiabetics Glaxosmithkline LLC (US) 2011-05-25 EP disclosed
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS SMITH KLINE BEECHAM CORPORATION a corporation 2010-02-04 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-20120077812-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC GPR119 1/4885GPR183 1491/4885ALDH1A1 1087/4885
US-20100029650-A1 BICYCLIC COMPOUNDS AND USE AS ANTIDIABETICS GPR119, GOT2, PC GPR119 1/4885GPR183 1491/4885ALDH1A1 1087/4885

“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.