Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2961179

O=C(O)C(F)(F)F.O=c1[nH]ncc2nc(N3CCNCC3)n(Cc3ccccc3)c12

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 4/20 0.53
DPP4 P27487 4/20 0.53
SOS1 Q07889 1/20 0.48
PIM1 P11309 1/20 0.47
KDM4E B2RXH2 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL13200852 0.92 HTR3A (0.61) HTR3ADPP4SOS1PIM1KDM4E
Trifluoroacetic Acid SCHEMBL2966289 0.85 HTR3A (0.54) HTR3ADPP4SOS1PIM1
Trifluoroacetic Acid SCHEMBL2965269 0.83 DPP4 (0.55) HTR3ADPP4SOS1PIM1
Trifluoroacetic Acid SCHEMBL2965733 0.83 HTR3A (0.51) HTR3ADPP4SOS1PIM1KDM4E
Trifluoroacetic Acid SCHEMBL2961372 0.83 DPP4 (0.49) DPP4
SCHEMBL27623275 0.83 ALDH1A1 (0.47) HTR3ADPP4KDM4ECYP1A2CYP2C9
Trifluoroacetic Acid SCHEMBL2962532 0.81 HTR3A (0.51) HTR3ADPP4SOS1PIM1CYP1A2
Trifluoroacetic Acid SCHEMBL2963765 0.81 DPP4 (0.50) HTR3ADPP4SOS1PIM1
Trifluoroacetic Acid SCHEMBL2952470 0.80 DPP4 (0.52) HTR3ADPP4SOS1PIM1
Trifluoroacetic Acid SCHEMBL2968179 0.80 DPP4 (0.50) HTR3ADPP4SOS1PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772226-B2 Condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-08-10 US disclosed
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-01-15 US disclosed
US-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS EISAI CO., LTD. (JP) 2007-09-20 US disclosed
US-20060100199-A1 Novel condensed imidazole derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2006-05-11 US disclosed
US-20060094722-A1 Combination drug EISAI CO., LTD. (JP) 2006-05-04 US disclosed
US-20060063787-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2006-03-23 US disclosed
EP-1557165-A1 COMBINATION DRUG Eisai Co., Ltd. (JP) 2005-07-27 EP disclosed
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed
US-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 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 (5 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-20070219178-A1 PREVENTIVE OR THERAPEUTIC AGENTS FOR MULTIPLE SCLEROSIS MYT1, AQP4, AQP1 HTR3A 3951/4885DPP4 2329/4885SOS1 2401/4885
US-20060100199-A1 Novel condensed imidazole derivatives H1-2, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-4 HTR3A 2063/4885DPP4 4422/4885SOS1 3113/4885
US-20060094722-A1 Combination drug DPP4, GLP1R, DPP7 HTR3A 2401/4885DPP4 1/4885SOS1 3340/4885
US-20060063787-A1 Condensed imidazole derivatives DPP4, HDAC1, DPP7 HTR3A 1879/4885DPP4 1/4885SOS1 2653/4885
US-20090018331-A1 CONDENSED IMIDAZOLE DERIVATIVES DPP4, HDAC1, DPP7 HTR3A 1879/4885DPP4 1/4885SOS1 2653/4885

“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.