Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1728930

CCOc1cc2c(cc1C(=O)NC)C(=N)N(CC(=O)c1ccc(OC(C)C(=O)O)c(C(C)(C)C)c1)C2.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F2R P25116 6/20 0.40
KDM4E B2RXH2 3/20 0.33
RAB9A P51151 3/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.32
GLA P06280 1/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 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 SCHEMBL1731182 0.96 F2R (0.40) F2RKDM4ERAB9AMAPTNPC1
Trifluoroacetic Acid SCHEMBL1729595 0.92 F2R (0.39) F2RKDM4ERAB9AMAPTNPC1
SCHEMBL1728932 0.90 F2R (0.38) F2RKDM4ERAB9AMAPTNPC1
Trifluoroacetic Acid SCHEMBL1731300 0.88 F2R (0.39) F2RKDM4ERAB9AMAPTNPC1
SCHEMBL1729455 0.88 F2R (0.42) F2RKDM4ERAB9AMAPTNPC1
Trifluoroacetic Acid SCHEMBL1730958 0.86 F2R (0.42) F2RKDM4ERAB9AMAPTNPC1
Bromide SCHEMBL1732751 0.86 F2R (0.38) F2RKDM4ERAB9AMAPTNPC1
Bromide SCHEMBL1732750 0.86 F2R (0.38) F2RKDM4ERAB9AMAPTNPC1
Bromide SCHEMBL1729696 0.86 F2R (0.41) F2RKDM4ERAB9AMAPTNPC1
Bromide SCHEMBL1731505 0.86 KDM4E (0.38) F2RKDM4ERAB9AMAPTNPC1

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 F2R 2290/4885KDM4E 3161/4885RAB9A 429/4885
US-20050004204-A1 2-Iminopyrrolidine derivatives H1-2, H1-3, H1-0 F2R 2289/4885KDM4E 3132/4885RAB9A 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.