SCHEMBL13638820

SCHEMBL13638820

COCC(=O)N[C@H](C)CO

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ACACB O00763 2/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 3/20 0.39
KCNK3 O14649 1/20 0.39
THRB P10828 1/20 0.39
CNR2 P34972 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
ACACA Q13085 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL13744711 1.00 TSHR (0.46) TSHRACACBHPGDSMN1; SMN2ALDH1A1
SCHEMBL23480156 0.83 MMP1 (0.50) TSHRACACBHPGDSMN1; SMN2THRB
SCHEMBL67777 0.81 TSHR (0.44) TSHRACACBHPGDSMN1; SMN2ALDH1A1
SCHEMBL67778 0.81 TSHR (0.44) TSHRACACBHPGDSMN1; SMN2ALDH1A1
SCHEMBL13744321 0.80 TSHR (0.47) TSHRACACBHPGDSMN1; SMN2ALDH1A1
SCHEMBL1036877 0.79
SCHEMBL4342682 0.79 CNR2 (0.44) ALDH1A1KCNK3THRBCNR2BLM
SCHEMBL29334716 0.78 TSHR (0.42) TSHRACACBHPGDSMN1; SMN2ALDH1A1
SCHEMBL8681480 0.77 CNR2 (0.51) ALDH1A1KCNK3THRBCNR2BLM
SCHEMBL14948951 0.76 TSHR (0.41) TSHRACACBHPGDSMN1; SMN2ALDH1A1

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-8304547-B2 Azolecarboxamide compound or salt thereof ASTELLAS PHARMA INC. (JP) 2012-11-06 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-20090209511-A1 Benzofuran Derivatives KAWAGUCHI TAKAYUKI 2009-08-20 US disclosed
US-7531537-B2 Benzofuran derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-05-12 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-20090209511-A1 Benzofuran Derivatives F12, F2, F3 TSHR 2452/4885ACACB 2151/4885HPGD 850/4885

“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.