Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6846437

O=C(Nc1cccc2c1OC(F)(F)O2)c1cccc(CCc2cncc3ccccc23)c1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATR Q13535 1/20 0.43
ABCB1 P08183 2/20 0.37
SLC16A3 O15427 1/20 0.36
RORC P51449 3/20 0.36
ALOX15 P16050 1/20 0.36
TRPV1 Q8NER1 6/20 0.36
NPC1 O15118 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SERPINE1 P05121 1/20 0.34
GPR35 Q9HC97 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 1/20 0.34
NR1H4 Q96RI1 1/20 0.34

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
SCHEMBL6841295 0.76 ADRB2 (0.47) ABCB1SLC16A3MAPT
SCHEMBL6846819 0.71 SLC16A3 (0.53) SLC16A3
SCHEMBL6841197 0.69 SMN1; SMN2 (0.44) ABCB1NPC1RAB9AMAPT
SCHEMBL6841307 0.69 MMP9 (0.44) ABCB1NPC1RAB9A
SCHEMBL6846857 0.66 NPC1 (0.58) NPC1RAB9A
SCHEMBL6846851 0.66 MMP9 (0.43) NPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL2851704 0.66 CCNC (0.43) CYP1A2CYP2D6CYP2C19
Trifluoroacetic Acid SCHEMBL6846480 0.66 MLYCD (0.44) RORCTRPV1NPC1RAB9A
SCHEMBL21416830 0.65 KMT2A (0.53) ATRALOX15NPC1CYP1A2CYP2C9
SCHEMBL6841219 0.65 CYP4F2 (0.54) ALOX15NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BENDER STEVEN LEE (US) 2004-05-13 US disclosed
US-6635641-B2 For treating cancer and other disease states associated with unwanted angiogenesis and/or cellular proliferation such as diabetic retinopathy, neovascular glaucoma, rheumatoid arthritis, psoriasis AGOURON PHARMACEUTICALS, INC. 2003-10-21 US disclosed
EP-1252146-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2002-10-30 EP disclosed
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use AGOURON PHARMACEUTICALS, INC. 2002-08-01 US disclosed
WO-2001053274-A1 AMIDE COMPOUNDS FOR INHIBITING PROTEIN KINASES AGOURON PHARMACEUTICALS, INC. (US) 2001-07-26 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 (2 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-20040092747-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATR 398/4885ABCB1 3902/4885SLC16A3 4704/4885
US-20020103203-A1 Amide compounds and pharmaceutical compositions for inhibiting protein kinases, and methods for their use BRAF, CNKSR1, UACA ATR 398/4885ABCB1 3902/4885SLC16A3 4704/4885

“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.