SCHEMBL3955674

SCHEMBL3955674

COC(=O)[C@H](CC(C)C)NCc1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.55
NOS1 P29475 2/20 0.55
NOS2 P35228 2/20 0.55
TSHR P16473 1/20 0.55
ANPEP P15144 2/20 0.54
GAA P10253 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CA12 O43570 2/20 0.52
CA7 P43166 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
CTSK P43235 1/20 0.46
PPID Q08752 1/20 0.42

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
SCHEMBL3957241 1.00 NOS3 (0.55) NOS3NOS1NOS2TSHRANPEP
SCHEMBL3955671 1.00 NOS3 (0.55) NOS3NOS1NOS2TSHRANPEP
SCHEMBL20447100 0.85 ANPEP (0.59) ANPEPMEN1KMT2ATAS1R3TAS1R1
SCHEMBL21301600 0.85 PPID (0.57) ANPEPCA12CA9TAS1R3TAS1R1
SCHEMBL24446769 0.85 ANPEP (0.59) ANPEPMEN1KMT2ATAS1R3TAS1R1
SCHEMBL19975277 0.85 ATM (0.54) ANPEPMEN1KMT2ACA12CA7
SCHEMBL7365655 0.85 ATM (0.54) ANPEPMEN1KMT2ACA12CA7
SCHEMBL6129757 0.85 ATM (0.54) ANPEPMEN1KMT2ACA12CA7
SCHEMBL3957176 0.84 ALDH1A1 (0.49) ANPEPCA12CA7CA9CA14
SCHEMBL3957174 0.84 ALDH1A1 (0.49) ANPEPCA12CA7CA9CA14

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-8552208-B2 Analogs of tetramic acid University of Tennesseee Research Foundation (US) 2013-10-08 US disclosed
WO-2009035553-A2 ANALOGS OF TETRAMIC ACID UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) 2009-03-19 WO disclosed
US-20090069406-A1 Analogs of tetramic acid NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-03-12 US disclosed
US-20090069406-A1 Analogs of tetramic acid NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2009-03-12 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-20090069406-A1 Analogs of tetramic acid TFRC, SLC7A1, FTH1 NOS3 4178/4885NOS1 3068/4885NOS2 3434/4885

“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.