Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4803371

COC(=O)CC1c2ccccc2NC(=O)C1N.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.47
HTT P42858 1/20 0.46
HSD17B10 Q99714 1/20 0.46
IDO1 P14902 8/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
TDO2 P48775 4/20 0.39
CACNA1G O43497 2/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 1/20 0.37
NCSTN Q92542 1/20 0.37
APH1A Q96BI3 1/20 0.37
PSENEN Q9NZ42 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
SCHEMBL5886612 0.92 EGFR (0.54) EGFRHTTHSD17B10IDO1ALDH1A1
Hydrochloric Acid SCHEMBL4800214 0.91 EGFR (0.53) EGFRHTTHSD17B10IDO1ALDH1A1
SCHEMBL6632822 0.79 EGFR (0.50) EGFRHSD17B10IDO1ALDH1A1KDM4E
SCHEMBL8998987 0.73 EGFR (0.72) EGFRHTTHSD17B10IDO1ALDH1A1
SCHEMBL9379449 0.73 EGFR (0.50) EGFRHTTHSD17B10IDO1ALDH1A1
SCHEMBL3201173 0.72 EGFR (0.65) EGFRHTTHSD17B10IDO1KDM4E
SCHEMBL4803380 0.70 TSHR (0.36) EGFRALDH1A1KDM4ECACNA1GMAPT
Trifluoroacetic Acid SCHEMBL4800639 0.68 PARP1 (0.51) HTTHSD17B10ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL4799215 0.68 PARP1 (0.51) HTTHSD17B10ALDH1A1MAPT
SCHEMBL320134 0.66 IDO1 (0.57) EGFRHTTHSD17B10IDO1KDM4E

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 EGFR 4027/4885HTT 4151/4885HSD17B10 291/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 EGFR 3840/4885HTT 4672/4885HSD17B10 98/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 EGFR 1963/4885HTT 4549/4885HSD17B10 329/4885

“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.