Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4800639

C[C@@H]1Oc2ccccc2NC(=O)[C@@H]1N.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.51
BRD4 O60885 1/20 0.42
CREBBP Q92793 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPK1 P28482 1/20 0.41
TSHR P16473 1/20 0.40
HPGD P15428 1/20 0.39
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
HTT P42858 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
Trifluoroacetic Acid SCHEMBL4799215 1.00 PARP1 (0.51) PARP1BRD4CREBBPHSD17B10ALDH1A1
SCHEMBL1562440 0.88 PARP1 (0.65) PARP1BRD4CREBBPHSD17B10ALDH1A1
SCHEMBL4800956 0.88 PARP1 (0.65) PARP1BRD4CREBBPHSD17B10ALDH1A1
SCHEMBL8903161 0.88 PARP1 (0.65) PARP1BRD4CREBBPHSD17B10ALDH1A1
SCHEMBL1562544 0.88 PARP1 (0.65) PARP1BRD4CREBBPHSD17B10ALDH1A1
Trifluoroacetic Acid SCHEMBL15564463 0.84 KMT2A (0.39) PARP1BRD4CREBBPHSD17B10TSHR
Trifluoroacetic Acid SCHEMBL15565599 0.83 ACE2 (0.38) PARP1HSD17B10ALDH1A1TSHRHPGD
SCHEMBL4803591 0.76 PARP1 (0.43) PARP1BRD4CREBBPHSD17B10ALDH1A1
Trifluoroacetic Acid SCHEMBL4803583 0.75 RIPK1 (0.43) PARP1HSD17B10ALDH1A1MAPK1HPGD
SCHEMBL15594242 0.74 ACE2 (0.42) PARP1BRD4CREBBPMEN1KMT2A

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 PARP1 1060/4885BRD4 3810/4885CREBBP 2181/4885
US-20040002495-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS2 PARP1 395/4885BRD4 3431/4885CREBBP 2243/4885
US-20060128687-A1 Lactam glycogen phosphorylase inhibitors and method of use PYGL, PYGM, GYS1 PARP1 1629/4885BRD4 2267/4885CREBBP 3011/4885

“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.