Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL13733639

CN(Cc1ccccc1)[C@@H](Cc1ccccc1)C(N)=O.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
SLC6A2 P23975 1/20 0.47
HTR2A P28223 1/20 0.47
SLC6A4 P31645 1/20 0.47
ADRA1A P35348 1/20 0.47
OPRK1 P41145 1/20 0.47
SLC6A3 Q01959 1/20 0.47
KCNH2 Q12809 1/20 0.47
CYP2C19 P33261 1/20 0.46
HPGD P15428 1/20 0.46
EPHX1 P07099 1/20 0.43
HDAC4 P56524 4/20 0.42
HDAC6 Q9UBN7 4/20 0.42
CPA1 P15085 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL900942 0.93 ADRA2B (0.54) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
Trifluoroacetic Acid SCHEMBL15284675 0.92 ADRA2B (0.43) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL18375655 0.86 OPRK1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL20362254 0.86 OPRK1 (0.47) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL19435386 0.84 CYP2C19 (0.43) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17571446 0.84 CYP2C19 (0.43) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
Trifluoroacetic Acid SCHEMBL9725813 0.82 CTRB1 (0.45) CYP2C19HPGDEPHX1HDAC4HDAC6
SCHEMBL17559642 0.80 NPC1 (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL17161709 0.80 NPC1 (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL7466902 0.80 NPC1 (0.46) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2016-07-07 US disclosed
CN-103379912-B Positive carboxyalkyl ear statin and application thereof SEATTLE GENETICS, INC. (US) 2016-03-16 CN disclosed
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME SEATTLE GENETICS, INC. (US) 2015-09-03 US disclosed
US-8992932-B2 Binder-drug conjugates (ADCs) and use thereof SEATTLE GENETICS, INC. (US) 2015-03-31 US disclosed
US-8987209-B2 N-carboxyalkyl-auristatin and the use thereof SEATTLE GENETICS, INC. (US) 2015-03-24 US disclosed
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF SEATTLE GENETICS, INC. (US) 2015-01-29 US disclosed
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF SEATTLE GENETICS, INC. 2015-01-22 US disclosed
EP-2790731-A2 FGFR-BINDER-ACTIVE AGENT CONJUGATES Seattle Genetics, Inc. (US) 2014-10-22 EP disclosed
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-05-08 US disclosed
CN-103379912-A N-carboxyalkyl auristatins and the use thereof SEATTLE GENETICS INC 2013-10-30 CN disclosed
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-10-03 US disclosed
WO-2013087716-A2 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2013-06-20 WO disclosed
US-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-16 US disclosed
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof Bayer Pharma AG (DE) 2013-04-18 US disclosed
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-14 US disclosed
WO-2012143495-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 WO disclosed
WO-2012143496-A2 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2012-10-26 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 (9 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-20130122024-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF MDN1, EPCAM, VCAM1 ADRA2B 3757/4885ADRA2C 4176/4885SLC6A2 2424/4885
US-20130066055-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 ADRA2B 3757/4885ADRA2C 3588/4885SLC6A2 1877/4885
US-20160193359-A1 NEW BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 ADRA2B 3757/4885ADRA2C 3588/4885SLC6A2 1877/4885
US-20130261064-A1 N-CARBOXYALKYL-AURISTATIN AND THE USE THEREOF HDGF, HGF, HGFAC ADRA2B 4087/4885ADRA2C 4502/4885SLC6A2 4697/4885
US-20150023989-A1 NEW ANTIBODY DRUG CONJUGATES (ADCS) AND THE USE THEREOF FGFR2, FGFR1, FGFR3 ADRA2B 4324/4885ADRA2C 4534/4885SLC6A2 2780/4885
US-20140127240-A1 Novel Binder-Drug Conjugates (ADCs) and Use of Same DDR1, IGFBP6, KDR ADRA2B 4420/4885ADRA2C 4598/4885SLC6A2 1395/4885
US-20150246136-A1 NOVEL BINDER-DRUG CONJUGATES (ADCs) AND USE OF SAME DDR1, IGFBP6, KDR ADRA2B 4420/4885ADRA2C 4598/4885SLC6A2 1395/4885
US-20130095123-A1 New binder-drug conjugates (ADCs) and use thereof CDK4, CDKL4, FLT4 ADRA2B 3757/4885ADRA2C 3588/4885SLC6A2 1877/4885
US-20150030618-A1 NOVEL BINDER-DRUG CONJUGATES (ADCS) AND USE THEREOF CDK4, CDKL4, FLT4 ADRA2B 3770/4885ADRA2C 3631/4885SLC6A2 1897/4885

“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.