Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729013

CCC(Oc1ccc2c(c1)C(=N)N(CC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C2)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
F2R P25116 15/20 0.37
PTGDR2 Q9Y5Y4 1/20 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
SCHEMBL1729019 0.89 KDM4E (0.39) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1729016 0.89 KDM4E (0.39) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1731712 0.87 KDM4E (0.41) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1730868 0.84 KDM4E (0.46) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1730560 0.83 KDM4E (0.48) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Trifluoroacetic Acid SCHEMBL1732049 0.83 KDM4E (0.41) KDM4EMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL1731715 0.82 KDM4E (0.42) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL5484091 0.82 KDM4E (0.47) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1729189 0.81 KDM4E (0.48) KDM4EMAPTRAB9ANPC1SMN1; SMN2
Bromide SCHEMBL1729360 0.81 KDM4E (0.58) KDM4EMAPTRAB9ANPC1SMN1; SMN2

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
EP-1391451-B1 2-IMINOPYRROLIDINE DERIVATES EISAI R&D MAN CO LTD (JP) 2011-11-23 EP disclosed
US-7244730-B2 2-iminopyrrolidine derivatives EISAI CO., LTD (JP) 2007-07-17 US disclosed
US-20050245592-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-11-03 US disclosed
US-20050004204-A1 2-Iminopyrrolidine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2005-01-06 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 (2 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-20050245592-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 KDM4E 3161/4885MAPT 3483/4885RAB9A 429/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 KDM4E 3132/4885MAPT 3440/4885RAB9A 418/4885

“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.