SCHEMBL5841317

SCHEMBL5841317

[NH]C(=O)CSC(CC(=O)O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
CPB1 P15086 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 3/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 2/20 0.37
LMNA P02545 2/20 0.36
APOBEC3G Q9HC16 1/20 0.34
GABRR1 P24046 2/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
FOLH1 Q04609 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
SCHEMBL503361 0.84 ALDH1A1 (0.53) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL15282733 0.77 CPB1 (0.52) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL10933514 0.77 CPB1 (0.62) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL18815932 0.75 CPB1 (0.55) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL28777931 0.75 CPB1 (0.50) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL18435789 0.73 CPB1 (0.48) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL11203316 0.73 CPB1 (0.48) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL7798008 0.71 CPB1 (0.56) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL630577 0.71 TDP1 (0.48) ALDH1A1KDM4ECPB1MEN1KMT2A
SCHEMBL10729283 0.71 TDP1 (0.48) ALDH1A1KDM4ECPB1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US claimed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US claimed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 US claimed
US-7138530-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-11-21 US disclosed
US-7109354-B2 Thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-09-19 US disclosed
US-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions SUBASINGHE NALIN 2005-10-20 US disclosed
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions 3-DIMENSIONAL PHARMACEUTICALS, INC. 2004-01-15 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-20050234081-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 3674/4885KDM4E 3990/4885CPB1 1769/4885
US-20040009995-A1 Novel thiophene amidines, compositions thereof, and methods of treating complement-mediated diseases and conditions C5, C9, C1R ALDH1A1 2779/4885KDM4E 4271/4885CPB1 1371/4885

“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.