Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2432015

NC1(c2ccnnc2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.37

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.37
HSD17B10 Q99714 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
C1S P09871 1/20 0.31
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
P2RY14 Q15391 1/20 0.31
HRH4 Q9H3N8 5/20 0.30
HRH3 Q9Y5N1 4/20 0.30
BACE1 P56817 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30

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
SCHEMBL12447845 0.83 LOXL2 (0.37) HCAR2
Hydrochloric Acid SCHEMBL2142116 0.81 LOXL2 (0.35)
Trifluoroacetic Acid SCHEMBL12802927 0.76 P2RX7 (0.35) OPRM1OPRL1P2RY14HRH4HRH3
Trifluoroacetic Acid SCHEMBL18286214 0.76 VNN1 (0.36) HCAR2HRH4HRH3
Trifluoroacetic Acid SCHEMBL13386459 0.75 KDM1A (0.34) HSD17B10L3MBTL1P2RY14HRH4HRH3
Trifluoroacetic Acid SCHEMBL30454911 0.73 HCAR2 (0.44) HCAR2HSD17B10C1SITGA4L3MBTL1
Trifluoroacetic Acid SCHEMBL2430505 0.72 KDM4E (0.37) HCAR2HSD17B10L3MBTL1HRH4HRH3
Trifluoroacetic Acid SCHEMBL1670534 0.71 CCR1 (0.38) L3MBTL1HRH4HRH3
Trifluoroacetic Acid SCHEMBL27673223 0.70 HCAR2 (0.41) HCAR2HSD17B10L3MBTL1
Trifluoroacetic Acid SCHEMBL6386625 0.70 HCAR2 (0.55) HCAR2HSD17B10L3MBTL1

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-2545050-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-08-13 EP disclosed
CN-102906089-A Compounds for the treatment of hepatitis C BRISTOL MYERS SQUIBB CO 2013-01-30 CN disclosed
EP-2545050-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2013-01-16 EP disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
WO-2011112186-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2011-09-15 WO disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US 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 (1 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-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 HCAR2 3492/4885HSD17B10 676/4885OPRM1 907/4885

“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.