Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4801260

NC1CSc2ccccc2NC1=O.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
HSD17B10 Q99714 5/20 0.43
GLA P06280 1/20 0.43
F2 P00734 3/20 0.41
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
USP2 O75604 1/20 0.40
ESR1 P03372 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
PTPN7 P35236 1/20 0.40
RECQL P46063 1/20 0.40
ESR2 Q92731 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38

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 SCHEMBL5886625 1.00 HSD17B10 (0.43) HSD17B10GLAF2F7F3
SCHEMBL8905187 0.87 ALDH1A1 (0.49) HSD17B10GLAKDM4EPOLBTDP1
SCHEMBL4495147 0.87 ALDH1A1 (0.49) HSD17B10GLAKDM4EPOLBTDP1
SCHEMBL4800295 0.87 ALDH1A1 (0.49) HSD17B10GLAKDM4EPOLBTDP1
Bromide SCHEMBL11008950 0.86 ALDH1A1 (0.47) HSD17B10GLAKDM4EPOLBTDP1
Hydrochloric Acid SCHEMBL15565137 0.86 ALDH1A1 (0.47) HSD17B10GLAKDM4EPOLBTDP1
Trifluoroacetic Acid SCHEMBL4890663 0.80 KIF11 (0.43) KMT2A
Trifluoroacetic Acid SCHEMBL4899626 0.80 KIF11 (0.43) KMT2A
Trifluoroacetic Acid SCHEMBL29675191 0.75 PYGL (0.44) NPC1
Trifluoroacetic Acid SCHEMBL4803583 0.74 RIPK1 (0.43) HSD17B10KDM4EPOLBHPGDALOX15

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
US-7425550-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MEYERS SQUIBB COMPANY (US) 2008-09-16 US disclosed
US-7098235-B2 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB CO. (US) 2006-08-29 US disclosed
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use SHER PHILIP 2006-06-15 US disclosed
US-7057046-B2 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY (US) 2006-06-06 US disclosed
US-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds BRISTOL-MYERS SQUIBB COMPANY 2004-07-22 US disclosed
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use BRISTOL-MYERS SQUIBB COMPANY 2004-01-01 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 (3 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-20040142938-A1 Triglyceride and triglyceride-like prodrugs of glycogen phosphorylase inhibiting compounds PYGL, PNLIP, PYGM HSD17B10 291/4885GLA 88/4885F2 2438/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 HSD17B10 98/4885GLA 18/4885F2 2199/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 HSD17B10 329/4885GLA 51/4885F2 2512/4885

“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.