Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL71716

CCN1CCNCC1=O.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.37
PKM P14618 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
P2RX7 Q99572 1/20 0.33
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
BRD4 O60885 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
CYP2J2 P51589 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
INMT O95050 1/20 0.32
USP19 O94966 1/20 0.32
PDE9A O76083 1/20 0.31
CYP2C9 P11712 1/20 0.31
ATP6V1B2 P21281 1/20 0.31
TBXA2R P21731 1/20 0.31

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
Trifluoroacetic Acid SCHEMBL1206539 1.00 HRH4 (0.37) HRH4PKMHRH3P2RX7LMNA
Trifluoroacetic Acid SCHEMBL1583669 0.88 HRH4 (0.36) HRH4PKMHRH3P2RX7USP19
Acetic Acid SCHEMBL767832 0.87 KMT2A (0.36) P2RX7LMNAALDH1A1TSHRINMT
Trifluoroacetic Acid SCHEMBL1583592 0.85 MEN1 (0.39) HRH4PKMHRH3KDM4EALDH1A1
SCHEMBL92375 0.85
Trifluoroacetic Acid SCHEMBL1177066 0.83 HRH4 (0.34) HRH4PKMHRH3SCN9A
Hydrochloric Acid SCHEMBL854039 0.83 GPR4 (0.34) USP19GPR4KCNH2
Trifluoroacetic Acid SCHEMBL28691408 0.82 PKM (0.34) HRH4PKMHRH3LMNAALDH1A1
Trifluoroacetic Acid SCHEMBL31571014 0.82 TSHR (0.45) HRH4PKMHRH3TSHR
Trifluoroacetic Acid SCHEMBL28374959 0.81 PKM (0.38) HRH4PKMHRH3KDM4ESCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 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 (3 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HRH4 59/4885PKM 4083/4885HRH3 314/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HRH4 73/4885PKM 4112/4885HRH3 372/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HRH4 59/4885PKM 4337/4885HRH3 247/4885

“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.