SCHEMBL8290551

SCHEMBL8290551

Cc1ccc(Cn2c(SCCC(=O)O)nc3c2c(=O)[nH]c(=O)n3C)cc1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.78
HPGD P15428 7/20 0.71
ALDH1A1 P00352 7/20 0.71
HSD17B10 Q99714 3/20 0.70
POLB P06746 4/20 0.70
TP53 P04637 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
MAPK1 P28482 1/20 0.69
MEN1 O00255 1/20 0.67
KMT2A Q03164 1/20 0.67
LMNA P02545 1/20 0.61
ALOX15 P16050 1/20 0.61
USP2 O75604 1/20 0.60
BRAF P15056 1/20 0.60
PKM P14618 1/20 0.59
ATM Q13315 1/20 0.59
APOBEC3G Q9HC16 1/20 0.59

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
SCHEMBL8291374 0.84 PLD3 (0.81) TSHRALDH1A1HSD17B10TP53SMN1; SMN2
SCHEMBL32677317 0.81 ALDH1A1 (0.78) TSHRHPGDALDH1A1HSD17B10POLB
SCHEMBL16028896 0.79 TSHR (0.84) TSHRHPGDALDH1A1HSD17B10POLB
SCHEMBL17522955 0.76 TSHR (0.67) TSHRHPGDALDH1A1HSD17B10POLB
SCHEMBL27411452 0.76 ALDH1A1 (0.67) TSHRHPGDALDH1A1HSD17B10POLB
SCHEMBL3428681 0.74 ALDH1A1 (0.51) TSHRHPGDALDH1A1HSD17B10POLB
SCHEMBL16028826 0.72 TSHR (1.00) TSHRHPGDALDH1A1HSD17B10POLB
SCHEMBL2403653 0.71 KMT2A (0.78) TSHRHPGDALDH1A1POLBTP53
SCHEMBL6348692 0.71 BRAF (0.72) TSHRALDH1A1POLBMAPK1MEN1
SCHEMBL18036526 0.71 TPH2 (0.86) ALDH1A1POLBMAPK1USP2BRAF

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 TSHR 4222/4885HPGD 1633/4885ALDH1A1 1025/4885

“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.