SCHEMBL2953547

SCHEMBL2953547

CC(C)C[C@H](N)C(O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
ANPEP P15144 6/20 0.37
DNPEP Q9ULA0 1/20 0.37
SLC7A5 Q01650 1/20 0.36
LAP3 P28838 2/20 0.34
ERAP1 Q9NZ08 2/20 0.34
ERAP2 Q6P179 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
NFKB1 P19838 1/20 0.32
THPO P40225 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
GMNN O75496 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
PMP22 Q01453 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL18774942 0.78 TSHR (0.38) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL18774945 0.78 TSHR (0.38) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL17897965 0.78 ANPEP (0.33) TSHRALDH1A1MAPK1ANPEPDNPEP
Hydrochloric Acid SCHEMBL8054309 0.76 TSHR (0.36) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL7437500 0.76 ANPEP (0.33) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL7270284 0.76 ANPEP (0.33) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL10355433 0.74 ANPEP (0.35) TSHRALDH1A1MAPK1ANPEPDNPEP
Hydrochloric Acid SCHEMBL7439334 0.74 GMNN (0.33) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL10354928 0.74 ANPEP (0.35) TSHRALDH1A1MAPK1ANPEPDNPEP
SCHEMBL7434781 0.74 TSHR (0.34) TSHRALDH1A1MAPK1ANPEPDNPEP

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-7767825-B2 2,2′,6,6′-tetraoxazolinyl biphenyl ligand and method for preparing the same SHANGHAI JIAOTONG UNIVERSITY (CN) 2010-08-03 US disclosed
US-20090043104-A1 2,2',6,6' - TETRAOXAZOLINYL BIPHENYL LIGAND AND METHOD FOR PREPARING THE SAME SHANGHAI JIAOTONG UNIVERSITY (CN) 2009-02-12 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-20090043104-A1 2,2',6,6' - TETRAOXAZOLINYL BIPHENYL LIGAND AND METHOD FOR PREPARING THE SAME IP6K2, PIP4K2C, IP6K3 TSHR 230/4885ALDH1A1 4305/4885MAPK1 1813/4885

“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.