SCHEMBL8291374

SCHEMBL8291374

Cc1ccc(Cn2c(SCCC(=O)O)nc3c2c(=O)n(C)c(=O)n3C)cc1

nearest known ligand 0.81

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PLD3 Q8IV08 1/20 0.81
ALDH1A1 P00352 9/20 0.77
TSHR P16473 7/20 0.77
SMN1; SMN2 Q16637 3/20 0.77
NPSR1 Q6W5P4 3/20 0.77
LMNA P02545 2/20 0.77
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
GAA P10253 3/20 0.62
TP53 P04637 2/20 0.61
MAOB P27338 1/20 0.60
MAPT P10636 3/20 0.59
HTT P42858 1/20 0.59
BRAF P15056 1/20 0.59
PIK3CG P48736 1/20 0.59
MAPK1 P28482 3/20 0.57
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL8290551 0.84 TSHR (0.78) ALDH1A1TSHRSMN1; SMN2LMNAMEN1
SCHEMBL14285657 0.79 ALDH1A1 (0.78) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL18834904 0.78 TSHR (0.83) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL16059176 0.78 LMNA (0.62) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL16029403 0.77 ALDH1A1 (0.70) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL16664758 0.77 ALDH1A1 (0.67) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL23493915 0.74 L3MBTL1 (0.56) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL23493987 0.74 GAA (0.48) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL29517871 0.74 BRAF (0.76) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1
SCHEMBL16133944 0.74 BRAF (1.00) PLD3ALDH1A1TSHRSMN1; SMN2NPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
US-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases KEYNEUROTEK PHARMACEUTICALS AG (DE) 2007-02-15 US disclosed
WO-2005037257-A2 NOVEL ALANYL-AMINO PEPTIDASE INHIBITORS FOR FUNCTIONALLY INFLUENCING DIFFERENT CELLS AND TREATING IMMUNOLOGICAL, INFLAMMATORY, NEURONAL, AND OTHER DISEASES IMTM GMBH (DE) 2005-04-28 WO 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-20070037752-A1 Novel alanyl-amino peptidase inhibitors for functionally influencing different cells and treating immunological, inflammatory, neuronal, and other diseases DNPEP, PREP, ANPEP PLD3 1018/4885ALDH1A1 1025/4885TSHR 4222/4885

“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.