Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3721770

NCc1cccc2c1C1(CCN(Cc3ccccc3)C1)CN2.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRNP P04156 1/20 0.46
OPRL1 P41146 1/20 0.46
CPB2 Q96IY4 3/20 0.43
CYP3A4 P08684 7/20 0.39
CYP2D6 P10635 6/20 0.39
TSHR P16473 4/20 0.39
USP2 O75604 4/20 0.39
CYP1A2 P05177 2/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CHRM2 P08172 2/20 0.37
CHRM3 P20309 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL3722865 0.91 OPRL1 (0.48) OPRL1CYP3A4CYP2D6TSHRUSP2
SCHEMBL3668622 0.84 OPRL1 (0.53) OPRL1CYP3A4CYP2D6TSHRUSP2
SCHEMBL6526247 0.81 HDAC1 (0.40) PRNPCYP3A4CYP2D6TSHRCHRM2
SCHEMBL3723903 0.79 CYP2D6 (0.37) PRNPCYP3A4CYP2D6TSHRCHRM2
SCHEMBL6524044 0.79 MGLL (0.40) PRNPCYP3A4CYP2D6TSHRUSP2
SCHEMBL29444528 0.76 TSHR (0.45) CYP3A4CYP2D6TSHRCYP1A2POLB
SCHEMBL6526248 0.76 CYP2D6 (0.41) PRNPCYP3A4CYP2D6TSHRCHRM2
SCHEMBL3665994 0.74 DRD4 (0.41) PRNPOPRL1CYP3A4CYP2D6TSHR
Hydrochloric Acid SCHEMBL3667689 0.73 POLB (0.44) OPRL1CYP3A4CYP2D6TSHRCYP1A2
Trifluoroacetic Acid SCHEMBL29663773 0.71 CPB2 (0.54) OPRL1CPB2CYP3A4CYP2D6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346805-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2016-05-24 US disclosed
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2013-03-21 US disclosed
EP-2240483-B1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-02-27 EP disclosed
US-8324221-B2 Pyrimidyl cyclopentanes as Akt protein kinase inhibitors ARRAY BIOPHARMA INC. (US) 2012-12-04 US disclosed
US-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-03-03 US disclosed
EP-2240483-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS Array Biopharma, Inc. (US) 2010-10-20 EP disclosed
WO-2009089454-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2009-07-16 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-20110053959-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS AKT1, AKT2, PIK3CA PRNP 1766/4885OPRL1 4151/4885CPB2 2151/4885
US-20130072500-A1 PYRIMIDYL CYCLOPENTANES AS AKT PROTEIN KINASE INHIBITORS PIK3CA, AKT1, AKT2 PRNP 1610/4885OPRL1 3868/4885CPB2 2246/4885

“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.