SCHEMBL9728231

SCHEMBL9728231

CCOC(=O)S[C@H]1C[C@@H](C(=O)O)N(C(=O)OCc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KCNJ1 P48048 1/20 0.41
KCNH2 Q12809 1/20 0.41
ATM Q13315 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL9199498 1.00 MAPT (0.42) MAPTALDH1A1LMNASMN1; SMN2KCNJ1
SCHEMBL9728542 0.92 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2KCNJ1
SCHEMBL9728545 0.92 MAPT (0.45) MAPTALDH1A1LMNASMN1; SMN2KCNJ1
SCHEMBL9199295 0.90 MAPT (0.40) MAPTALDH1A1LMNASMN1; SMN2KCNJ1
SCHEMBL9728176 0.90 MAPT (0.40) MAPTALDH1A1LMNASMN1; SMN2KCNJ1
SCHEMBL9728021 0.89 ATM (0.43) MAPTALDH1A1ATMHPGDTDP1
SCHEMBL5095110 0.89 ATM (0.43) MAPTALDH1A1ATMHPGDTDP1
SCHEMBL9381292 0.89 ATM (0.43) MAPTALDH1A1ATMHPGDTDP1
SCHEMBL8541738 0.89 ATM (0.43) MAPTALDH1A1ATMHPGDTDP1
SCHEMBL5108204 0.89 ATM (0.43) MAPTALDH1A1ATMHPGDTDP1

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-5122604-A 2-(2-Carbonyl-substituted pyrrolidin-4-yl)carbapenems and -penems; microbiocides SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1992-06-16 US disclosed
US-4943569-A B-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-07-24 US disclosed
US-4933333-A β-lactam compounds SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 1990-06-12 US disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed