SCHEMBL3428446

SCHEMBL3428446

COC(N)[C@H](C(=O)O)C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 1/20 0.41
SLC1A2 P43004 1/20 0.41
SLC1A1 P43005 1/20 0.41
SLC7A5 Q01650 1/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
DGAT1 O75907 1/20 0.32
NOS1 P29475 2/20 0.32
NOS3 P29474 1/20 0.32
NOS2 P35228 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
ITGA4 P13612 1/20 0.31
ITGB7 P26010 1/20 0.31
AAK1 Q2M2I8 1/20 0.31
LTA4H P09960 1/20 0.30
CA12 O43570 1/20 0.30

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
SCHEMBL27850760 1.00 SLC1A3 (0.41) SLC1A3SLC1A2SLC1A1SLC7A5ALDH1A1
SCHEMBL1066621 0.82 KMT2A (0.39) SLC1A3SLC1A2SLC1A1SLC7A5ALDH1A1
SCHEMBL27656864 0.82 KMT2A (0.39) SLC1A3SLC1A2SLC1A1SLC7A5ALDH1A1
SCHEMBL7814662 0.82 NOS1 (0.37) SLC7A5ALDH1A1MAPTPTGS1KMT2A
SCHEMBL31733944 0.82 NOS1 (0.37) SLC7A5ALDH1A1MAPTPTGS1KMT2A
SCHEMBL4106257 0.82 KMT2A (0.39) SLC1A3SLC1A2SLC1A1SLC7A5ALDH1A1
SCHEMBL27930487 0.80 NOS1 (0.35) SLC7A5ALDH1A1MAPTPTGS1KMT2A
SCHEMBL27550039 0.80 SLC7A5 (0.36) SLC1A3SLC1A2SLC1A1SLC7A5ALDH1A1
SCHEMBL4366518 0.80 SLC7A5 (0.36) SLC1A3SLC1A2SLC1A1SLC7A5ALDH1A1
SCHEMBL28025146 0.80 NOS1 (0.40) SLC1A3SLC1A2SLC1A1SLC7A5ALDH1A1

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-7732466-B2 Substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-08 US disclosed
US-7476663-B2 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-01-13 US disclosed
US-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-12-28 US disclosed
US-20050277628-A1 Substituted thiophene carboxamides BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-15 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-20060293300-A1 New substituted thiophene carboxamides, process for their preparation and their use as medicaments OTC, TPMT, ABCG2 SLC1A3 851/4885SLC1A2 318/4885SLC1A1 557/4885
US-20050277628-A1 Substituted thiophene carboxamides OTC, SLC22A8, DDC SLC1A3 125/4885SLC1A2 34/4885SLC1A1 59/4885

“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.