Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1729403

CNC(=O)c1cc2c(cc1N(C)C)CN(CC(=O)c1ccc(NCC(=O)O)c(C(C)(C)C)c1)C2=N.O=C(O)C(F)(F)F

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
F2R P25116 1/20 0.33
NPC1 O15118 1/20 0.31

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
Bromide SCHEMBL5493348 0.95 KDM4E (0.36) KDM4EMAPTRAB9ASMN1; SMN2F2R
SCHEMBL1729404 0.89 KDM4E (0.32) KDM4EMAPTRAB9ANPC1
Trifluoroacetic Acid SCHEMBL1730949 0.87 F2R (0.43) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1731487 0.84 KDM4E (0.33) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1731454 0.82 F2R (0.43) KDM4EMAPTRAB9ASMN1; SMN2F2R
SCHEMBL14449030 0.81 F2R (0.38) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1730444 0.80 F2R (0.37) KDM4EMAPTRAB9ASMN1; SMN2F2R
Bromide SCHEMBL1732425 0.80 KDM4E (0.33) KDM4EMAPTRAB9ASMN1; SMN2F2R
Trifluoroacetic Acid SCHEMBL1729510 0.80 F2R (0.44) F2R
Bromide SCHEMBL1731328 0.79 KDM4E (0.37) KDM4EMAPTRAB9ASMN1; SMN2F2R

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.