SCHEMBL5981683

SCHEMBL5981683

CC(C)(C)OC(=O)C(N)Cc1cc(C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.40
AR P10275 3/20 0.38
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 3/20 0.34
P2RX1 P51575 2/20 0.34
ATM Q13315 1/20 0.34
THRB P10828 1/20 0.34
VDR P11473 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C19 P33261 2/20 0.33
CES2 O00748 1/20 0.33
ABCB11 O95342 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CHRM1 P11229 1/20 0.33

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 SCHEMBL5982103 0.96 TTR (0.38) TTRARALDH1A1KMT2AMEN1
SCHEMBL5981349 0.85 PPARG (0.44) TTRARALDH1A1KMT2AMEN1
SCHEMBL5981678 0.85 CLPP (0.37) CYP3A4CES2PSEN1PSEN2APH1B
SCHEMBL27985262 0.83 SLC7A5 (0.46) ALDH1A1KMT2AMEN1ATMLMNA
SCHEMBL5981596 0.82 AAK1 (0.49) TTRARKMT2AMEN1MAPK1
Trifluoroacetic Acid SCHEMBL5981710 0.81 PPARG (0.37) CYP3A4PSEN1PSEN2APH1BNCSTN
SCHEMBL5981688 0.78 TTR (0.40) TTRARALDH1A1KMT2AMEN1
SCHEMBL5981639 0.76 TTR (0.50) TTRARALDH1A1KMT2AMEN1
Trifluoroacetic Acid SCHEMBL5982108 0.76 TTR (0.38) TTRARALDH1A1KMT2AMEN1
SCHEMBL550878 0.72 TSHR (0.57) TTRALDH1A1KMT2AMEN1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7115766-B2 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORP. (US) 2006-10-03 US disclosed
US-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2004-02-19 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 (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-20040034246-A1 Nucleophilic approach for preparing radiolabeled imaging agents and associated compounds SNCA, PARK7, SAMHD1 TTR 1431/4885AR 4635/4885ALDH1A1 2747/4885

“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.