Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL7038495

NCCCC[C@@](N)(C(=O)Nc1ccc(C(c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3cccc(O)c3)cc2)c2ccc(NC(=O)[C@](N)(CCCCN)C(=O)c3cccc(O)c3)cc2)cc1)C(=O)c1cccc(O)c1.O=C(O)C(F)(F)F

nearest known ligand 0.35

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
P2RX1 P51575 1/20 0.35
KLK1 P06870 2/20 0.35
KLK5 Q9Y337 2/20 0.35
MAPK1 P28482 1/20 0.34
BAZ1A Q9NRL2 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABCC9 O60706 1/20 0.33
ABCC8 Q09428 1/20 0.33
KCNJ11 Q14654 1/20 0.33
KCNJ8 Q15842 1/20 0.33
F2 P00734 3/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
HPGDS O60760 1/20 0.32
TMPRSS6 Q8IU80 2/20 0.32
NLRP3 Q96P20 3/20 0.32

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 SCHEMBL6290918 0.90 MLYCD (0.37) TP53KLK1KLK5ALDH1A1ABCC9
Trifluoroacetic Acid SCHEMBL6287794 0.90 MLYCD (0.37) TP53KLK1KLK5ALDH1A1ABCC9
Trifluoroacetic Acid SCHEMBL7039259 0.88 GABRB1 (0.40) F2NPC1RAB9ATMPRSS6
Trifluoroacetic Acid SCHEMBL7039294 0.83 KLK1 (0.39) TP53HTTP2RX1KLK1KLK5
Trifluoroacetic Acid SCHEMBL6286326 0.83 NR1H4 (0.37) KLK1KLK5F2NPC1RAB9A
Trifluoroacetic Acid SCHEMBL6287884 0.81 KEAP1 (0.37) KLK1KLK5MAPK1KDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL6286281 0.79 CES1 (0.39) TP53GAANPC1RAB9A
Trifluoroacetic Acid SCHEMBL6288018 0.79 CES1 (0.39) TP53GAANPC1RAB9A
Hydrochloric Acid SCHEMBL6286600 0.78 CHRNA1 (0.37) KLK1KDM4ENLRP3
SCHEMBL6290435 0.77 EGFR (0.34) KLK1NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162724-A1 Compounds exhibiting thrombopoietin-like activities CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-08-28 US disclosed
EP-1291341-A1 COMPOUNDS EXHIBITING THROMBOPOIETIN-LIKE ACTIVITIES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-12 EP 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-20030162724-A1 Compounds exhibiting thrombopoietin-like activities MPL, THPO, TEK TP53 3089/4885GAA 4704/4885HTT 3042/4885

“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.