Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6282019

COC(=O)c1cccc2nc(SCCCN3CCNCC3)oc12.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 3/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
DRD2 P14416 1/20 0.39
DRD3 P35462 1/20 0.39
ALDH1A1 P00352 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 1/20 0.36

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 SCHEMBL6282854 0.95 KDM4E (0.41) SOAT1KDM4EMEN1KMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL6280105 0.81 SOAT1 (0.53) SOAT1MEN1KMT2ADRD2ALDH1A1
Trifluoroacetic Acid SCHEMBL5623338 0.79 ALDH1A1 (0.40) SOAT1KDM4EMEN1KMT2AALDH1A1
SCHEMBL6280351 0.76 SOAT1 (0.74) SOAT1
Trifluoroacetic Acid SCHEMBL1705470 0.75 SOAT1 (0.52) SOAT1MEN1KMT2AALDH1A1NPC1
SCHEMBL6280359 0.74 SOAT1 (0.75) SOAT1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL6282990 0.73 SOAT1 (0.48) SOAT1KDM4EDRD2DRD3ALDH1A1
SCHEMBL6282311 0.73 SOAT1 (0.67) SOAT1
SCHEMBL6283922 0.72 SOAT1 (0.68) SOAT1
SCHEMBL5623132 0.72 TMEM97 (0.39) SOAT1KDM4EMEN1KMT2AALDH1A1

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 SOAT1 5/4885KDM4E 1460/4885MEN1 3614/4885

“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.