SCHEMBL9520632

SCHEMBL9520632

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 2/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR5 P51681 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ATM Q13315 1/20 0.38
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9207906 1.00 RAB9A (0.41) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL9519253 0.92 ALDH1A1 (0.39) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL9519895 0.92 TDP1 (0.42) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL9020497 0.92 RAB9A (0.40) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL9195878 0.91 RAB9A (0.41) RAB9ANPC1ALDH1A1MAPTHPGD
SCHEMBL10513485 0.91 TDP1 (0.41) RAB9AALDH1A1MAPTHPGDTDP1
SCHEMBL8436015 0.91 TDP1 (0.41) RAB9AALDH1A1MAPTHPGDTDP1
SCHEMBL9520375 0.91 ALDH1A1 (0.41) ALDH1A1MAPTHPGDTDP1CCR5
SCHEMBL10513490 0.91 TDP1 (0.41) RAB9AALDH1A1MAPTHPGDTDP1
SCHEMBL8436018 0.91 TDP1 (0.41) RAB9AALDH1A1MAPTHPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0272455-B1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-10 EP disclosed
US-5138064-A Chemical intermediate for penicillin derivative FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1992-08-11 US disclosed
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
US-4921852-A CARBAPENICILLINS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-05-01 US disclosed
EP-0272455-A1 3-Pyrrolidinylthio-1-azabicyclo [3.2.0] hept-2-ene-2-carboxylic acid compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-06-29 EP disclosed
EP-0126587-A1 Carboxylic thio-pyrrolidinyl beta-lactam compounds and production thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1984-11-28 EP disclosed