Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2915951

CC1CNCCN1Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46
HTR2C P28335 2/20 0.43
MITF O75030 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 1/20 0.41
SLC2A1 P11166 2/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
DPP4 P27487 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL104699 0.88 SIGMAR1 (0.51) HTR2CSIGMAR1MAPTSLC6A2SLC6A4
SCHEMBL104187 0.88 SIGMAR1 (0.51) HTR2CSIGMAR1MAPTSLC6A2SLC6A4
SCHEMBL104186 0.88 SIGMAR1 (0.51) HTR2CSIGMAR1MAPTSLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL27638820 0.88 MITF (0.50) HTR2CMITFSIGMAR1KMT2A
Hydrochloric Acid SCHEMBL27966160 0.86 SIGMAR1 (0.50) HTR2CSIGMAR1MAPTSLC6A2SLC6A4
Dimethylamine SCHEMBL8560100 0.84 SIGMAR1 (0.47) HTR2CSIGMAR1MAPTSLC6A2SLC6A4
Trifluoroacetic Acid SCHEMBL26697682 0.82 MITF (0.40) PDK1PDK2PDK3PDK4MITF
Trifluoroacetic Acid SCHEMBL30867894 0.82 FKBP1A (0.42) MITFSLC2A1CYP2C19
SCHEMBL28616803 0.81 HRH3 (0.46) HTR2CMAPTKDM4EPOLBKMT2A
Trifluoroacetic Acid SCHEMBL6706496 0.80 ALDH1A1 (0.51) SIGMAR1MAPTKDM4EPOLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 US disclosed
EP-3221312-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline LLC (US) 2017-09-27 EP disclosed
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 EP disclosed
CN-107207496-A Substituted bridged ring urea analogs as sirtuin modulators 葛兰素史密斯克莱有限责任公司 2017-09-26 CN disclosed
CN-107207521-A Substituted bridged urea analogs as sirtuin modulators 葛兰素史密斯克莱知识产权(第2 号)有限公司 2017-09-26 CN disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed
WO-2016081692-A2 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2016-05-26 WO disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 US disclosed
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 EP 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PDK1 305/4885PDK2 71/4885PDK3 103/4885
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PDK1 556/4885PDK2 400/4885PDK3 513/4885
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PDK1 439/4885PDK2 281/4885PDK3 378/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PDK1 556/4885PDK2 400/4885PDK3 513/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PDK1 556/4885PDK2 400/4885PDK3 513/4885

“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.