Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2310563

O=C(O)C(F)(F)F.c1ccc(C(=C2CCNCC2)c2ccccc2)cc1

nearest known ligand 0.57

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 14/20 0.57
OPRM1 P35372 12/20 0.57
OPRK1 P41145 4/20 0.57
KCNH2 Q12809 3/20 0.46
ABCB11 O95342 1/20 0.46
CES1 P23141 1/20 0.44
SETD7 Q8WTS6 1/20 0.42
LMNA P02545 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
HTR2A P28223 1/20 0.42
HRH1 P35367 1/20 0.42
HTR2B P41595 1/20 0.42
CHRNA4 P43681 1/20 0.42
HTR3A P46098 1/20 0.42
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL2457390 0.86 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2ABCB11
Bromide SCHEMBL10598951 0.84 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2ABCB11
Hydrochloric Acid SCHEMBL7647391 0.84 OPRD1 (0.59) OPRD1OPRM1OPRK1KCNH2ABCB11
Trifluoroacetic Acid SCHEMBL21381796 0.83 CES1 (0.47) OPRD1OPRM1OPRK1KCNH2CES1
SCHEMBL3663243 0.82 OPRD1 (0.54) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL5845523 0.80 OPRD1 (0.61) OPRD1OPRM1OPRK1KCNH2ABCB11
SCHEMBL8314711 0.79 OPRD1 (0.58) OPRD1OPRM1OPRK1KCNH2ABCB11
Trifluoroacetic Acid SCHEMBL5451230 0.79 HTR2C (0.61) CES1HTR2AHTR2B
SCHEMBL10461671 0.78 OPRM1 (0.67) OPRD1OPRM1OPRK1KCNH2ABCB11
Trifluoroacetic Acid SCHEMBL21381795 0.78 OPRD1 (0.62) OPRD1OPRM1OPRK1KCNH2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11214578-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof NORTHEASTERN UNIVERSITY (US) 2022-01-04 US disclosed
US-20200148696-A1 Urea/Carbamates FAAH MAGL Or Dual FAAH/MAGL Inhibitors And Uses Thereof NORTHEASTERN UNIVERSITY 2020-05-14 US disclosed
US-10570146-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof NORTHEASTERN UNIVERSITY (US) 2020-02-25 US disclosed
US-10004701-B2 Methods and compositions for treating infection UNIVERSITY OF ROCHESTER (US) 2018-06-26 US disclosed
US-20170247387-A1 UREA/CARBAMATES FAAH MAGL OR DUAL FAAH/MAGL INHIBITORS AND USES THEREOF NORTHEASTERN UNIVERSITY 2017-08-31 US disclosed
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION UNIVERSITY OF ROCHESTER (US) 2017-03-09 US disclosed
WO-2016014975-A2 UREA/CARBAMATES FAAH MAGL OR DUAL FAAH/MAGL INHIBITORS AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2016-01-28 WO disclosed
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-08-27 US disclosed
CN-102239146-A Novel compounds as calcium channel blockers ABBOTT LAB 2011-11-09 CN disclosed
US-8044069-B2 Compounds as calcium channel blockers ABBOTT LABORATORIES (US) 2011-10-25 US disclosed
EP-2350002-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS Abbott Laboratories (US) 2011-08-03 EP disclosed
US-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-15 US disclosed
WO-2010039947-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS ABBOTT LABORATORIES (US) 2010-04-08 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-20100093730-A1 NOVEL COMPOUNDS AS CALCIUM CHANNEL BLOCKERS CACNA1E, CACNA1S, CACNA1D OPRD1 309/4885OPRM1 431/4885OPRK1 354/4885
US-11214578-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof FAAH, FAAH2, MGLL OPRD1 850/4885OPRM1 325/4885OPRK1 674/4885
US-10570146-B2 Urea/carbamates FAAH MAGL or dual FAAH/MAGL inhibitors and uses thereof FAAH, FAAH2, MGLL OPRD1 364/4885OPRM1 138/4885OPRK1 199/4885
US-20150238473-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO OPRD1 4292/4885OPRM1 3382/4885OPRK1 3247/4885
US-20170247387-A1 UREA/CARBAMATES FAAH MAGL OR DUAL FAAH/MAGL INHIBITORS AND USES THEREOF FAAH, FAAH2, MGLL OPRD1 1205/4885OPRM1 332/4885OPRK1 961/4885
US-20200148696-A1 Urea/Carbamates FAAH MAGL Or Dual FAAH/MAGL Inhibitors And Uses Thereof FAAH, MGLL, FAAH2 OPRD1 1927/4885OPRM1 552/4885OPRK1 1562/4885
US-20170065540-A1 METHODS AND COMPOSITIONS FOR TREATING INFECTION MMP8, IFNG, MPO OPRD1 4292/4885OPRM1 3382/4885OPRK1 3247/4885
US-10004701-B2 Methods and compositions for treating infection MMP8, IFNG, MPO OPRD1 4292/4885OPRM1 3382/4885OPRK1 3247/4885

“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.