Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3157405

O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1coc(CN2CCNCC2)c1

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
PKM P14618 1/20 0.46
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
POLB P06746 1/20 0.44
ADORA2A P29274 1/20 0.43
SLC2A1 P11166 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 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
SCHEMBL3108724 0.85 SIGMAR1 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
SCHEMBL4906722 0.85 SIGMAR1 (0.52) MEN1KMT2AKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL7228224 0.84 SIGMAR1 (0.50) MEN1KMT2AALDH1A1LMNACYP2D6
SCHEMBL13295256 0.78 MEN1 (0.57) MEN1KMT2AKDM4EALDH1A1LMNA
Tert-Butyl Formate SCHEMBL28872096 0.76 KMT2A (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL6802424 0.76 MCHR1 (0.57) CPB2MEN1KMT2A
Trifluoroacetic Acid SCHEMBL2027523 0.76 HTT (0.50) KDM4EALDH1A1MAPTPKMSLC2A1
Trifluoroacetic Acid SCHEMBL23293599 0.74 MPO (0.57) MEN1KMT2AKDM4EALDH1A1LMNA
Trifluoroacetic Acid SCHEMBL11900805 0.74 MPO (0.57) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL21044037 0.74 MEN1 (0.58) MEN1KMT2AKDM4EALDH1A1LMNA

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 54 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10647683-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2020-05-12 US disclosed
US-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2019-08-08 US disclosed
US-10160729-B2 Hsp70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-12-25 US disclosed
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2018-06-21 US disclosed
US-9878987-B2 HSP70 modulators and methods for making and using the same MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2018-01-30 US disclosed
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER 2017-08-17 US disclosed
EP-3143013-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME Memorial Sloan Kettering Cancer Center (US) 2017-03-22 EP disclosed
WO-2015175707-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME MEMORIAL SLOAN KETTERING CANCER CENTER (US) 2015-11-19 WO disclosed
US-7732146-B2 Method for screening an agent that modulates activity of macrophage migration inhibitory factor AVANIR PHARMACEUTICALS (US) 2010-06-08 US disclosed
EP-1389110-B1 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2010-03-24 EP disclosed
US-7084141-B2 Inhibitors of macrophase migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS (US) 2006-08-01 US disclosed
US-20060094727-A1 INHIBITORS OF MACROPHASE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS 2006-05-04 US disclosed
US-20050287617-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2005-12-29 US disclosed
US-20050282236-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2005-12-22 US disclosed
EP-1594501-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME Avanir Pharmaceuticals (US) 2005-11-16 EP disclosed
US-20040204586-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS, INC. 2004-10-14 US disclosed
WO-2004074218-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2004-09-02 WO disclosed
EP-1389110-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME Avanir Pharmaceuticals (US) 2004-02-18 EP disclosed
US-20030195194-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same AVANIR PHARMACEUTICALS 2003-10-16 US disclosed
WO-2002094203-A2 INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME AVANIR PHARMACEUTICALS (US) 2002-11-28 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 (8 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-20190241526-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CPB2 2391/4885MEN1 4756/4885KMT2A 3581/4885
US-20060094727-A1 INHIBITORS OF MACROPHASE MIGRATION INHIBITORY FACTOR AND METHODS FOR IDENTIFYING THE SAME MIF, MSR1, MMP12 CPB2 149/4885MEN1 2800/4885KMT2A 3661/4885
US-20180170883-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CPB2 2391/4885MEN1 4756/4885KMT2A 3581/4885
US-20030195194-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 CPB2 206/4885MEN1 1993/4885KMT2A 3832/4885
US-20170233352-A1 HSP70 MODULATORS AND METHODS FOR MAKING AND USING THE SAME HSPA2, HSP90AA1, HSP90AB1 CPB2 2492/4885MEN1 4747/4885KMT2A 3400/4885
US-20040204586-A1 Inhibitors of macrophage migration inhibitory factor and methods for identifying the same MIF, MSR1, MMP12 CPB2 190/4885MEN1 1887/4885KMT2A 4043/4885
US-10647683-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 CPB2 2391/4885MEN1 4756/4885KMT2A 3581/4885
US-10160729-B2 Hsp70 modulators and methods for making and using the same HSPA2, HSP90AA1, HSP90AB1 CPB2 2391/4885MEN1 4756/4885KMT2A 3581/4885

“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.