Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6282854

COC(=O)c1cccc2nc(SCCN3CCNCC3)oc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SOAT1 P35610 5/20 0.40
ALDH1A1 P00352 3/20 0.37
BACE1 P56817 1/20 0.36
TACR3 P29371 1/20 0.34
KCNH2 Q12809 1/20 0.34
HIF1A Q16665 1/20 0.34
TNKS O95271 1/20 0.34
PARP1 P09874 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
PARP2 Q9UGN5 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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 SCHEMBL6282019 0.95 SOAT1 (0.41) KDM4EMEN1KMT2ASOAT1ALDH1A1
Trifluoroacetic Acid SCHEMBL5623338 0.84 ALDH1A1 (0.40) KDM4EMEN1KMT2ASOAT1ALDH1A1
Trifluoroacetic Acid SCHEMBL1705470 0.80 SOAT1 (0.52) MEN1KMT2ASOAT1ALDH1A1NPC1
SCHEMBL5623132 0.77 TMEM97 (0.39) KDM4EMEN1KMT2ASOAT1ALDH1A1
Trifluoroacetic Acid SCHEMBL6280105 0.75 SOAT1 (0.53) MEN1KMT2ASOAT1ALDH1A1TSHR
SCHEMBL6279638 0.75 SOAT1 (0.73) SOAT1
Trifluoroacetic Acid SCHEMBL1704553 0.73 TMEM97 (0.48) KDM4EMEN1KMT2ASOAT1ALDH1A1
SCHEMBL6281745 0.73 SOAT1 (0.59) SOAT1
Trifluoroacetic Acid SCHEMBL6279616 0.72 SOAT1 (0.54) KDM4ESOAT1ALDH1A1L3MBTL1
Trifluoroacetic Acid SCHEMBL3570071 0.72 RPS6KA2 (0.41) KDM4EMEN1KMT2AALDH1A1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6969711-B2 Cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2005-11-29 US disclosed
EP-0987254-B1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME KOWA CO (JP) 2004-12-22 EP disclosed
US-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same KOWA COMPANY, LTD. (JP) 2004-02-26 US disclosed
EP-0987254-A1 NOVEL CYCLIC DIAMINE COMPOUNDS AND MEDICINE CONTAINING THE SAME Kowa Co., Ltd. (JP) 2000-03-22 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-20040038987-A1 Novel cyclic diamine compounds and medicine containing the same LCAT, ACAT2, ACAT1 KDM4E 1460/4885MEN1 3614/4885KMT2A 433/4885

“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.