Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1294064

CC1(C)OB(c2ccc3cc(-c4ccc5nc(C6CCCN6C(=O)O)[nH]c5c4)ccc3c2)OC1(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.46
HCRTR2 O43614 19/20 0.46
USP30 Q70CQ3 1/20 0.40

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 SCHEMBL1294293 0.98 HCRTR1 (0.45) HCRTR1HCRTR2USP30
SCHEMBL1293683 0.95 HCRTR1 (0.44) HCRTR1HCRTR2USP30
Trifluoroacetic Acid SCHEMBL1293418 0.92 HCRTR1 (0.45) HCRTR1HCRTR2
Trifluoroacetic Acid SCHEMBL1293772 0.90 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL1294068 0.89 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL12969780 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL750855 0.88 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1294535 0.87 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL1294533 0.87 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL1294295 0.86 HCRTR1 (0.42) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2499127-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170355689-A1 HEPATITIS C VIRUS INHIBITOR BRISTOL MYERS SQUIBB CO (US) 2017-12-14 US disclosed
US-9776981-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-10-03 US disclosed
EP-2499115-B1 PROCESS FOR PREPARING HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB HOLDINGS IRELAND (CH) 2016-07-27 EP disclosed
US-9303007-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-04-05 US disclosed
US-20150322048-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150322031-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-11-12 US disclosed
US-20150197499-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-07-16 US disclosed
US-9006455-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2015-04-14 US disclosed
US-20130317213-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-11-28 US disclosed
US-20130115193-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-05-09 US disclosed
EP-2499127-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
EP-2499115-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2012-09-19 EP disclosed
US-20110274648-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-10 US disclosed
US-20110269956-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-11-03 US disclosed
WO-2011059850-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 WO disclosed
WO-2011059887-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2011-05-19 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-20170355689-A1 HEPATITIS C VIRUS INHIBITOR HAVCR2, LIPC, PYGL HCRTR1 4472/4885HCRTR2 4650/4885USP30 2386/4885
US-20130317213-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS HCRTR1 4357/4885HCRTR2 4637/4885USP30 1552/4885
US-20150322031-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885USP30 2534/4885
US-20150197499-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885USP30 2534/4885
US-20110269956-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, MAVS HCRTR1 4357/4885HCRTR2 4637/4885USP30 1552/4885
US-20150322048-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885USP30 2534/4885
US-20110274648-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885USP30 2534/4885
US-20130115193-A1 Hepatitis C Virus Inhibitors HAVCR2, PYGL, HCCS HCRTR1 4453/4885HCRTR2 4639/4885USP30 2534/4885

“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.