SCHEMBL7805577

SCHEMBL7805577

C=CCOC(=O)N1C[C@@H](SC(C)=O)C[C@H]1CO

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ECE1 P42892 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
CYP19A1 P11511 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
SCHEMBL9795176 0.86 ECE1 (0.38) ECE1
SCHEMBL8832600 0.85 ECE1 (0.32) ECE1SIGMAR1
SCHEMBL9132239 0.85 NR1H2 (0.35) SIGMAR1CYP19A1
SCHEMBL7239236 0.85 NR1H2 (0.35) SIGMAR1CYP19A1
SCHEMBL8805757 0.84 SIGMAR1 (0.33) SIGMAR1CYP19A1
SCHEMBL8805750 0.84 SIGMAR1 (0.33) SIGMAR1CYP19A1
SCHEMBL9794941 0.83 ECE1 (0.41) ECE1
SCHEMBL5095470 0.82 ATM (0.34) SIGMAR1CYP19A1
SCHEMBL8786851 0.82 ATM (0.34) SIGMAR1CYP19A1
SCHEMBL5095282 0.82 ATM (0.34) SIGMAR1CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932381-B2 Reacting a 2-diaminosulfone, 5-mercaptpo, N- carboxyacrylate pyrrole with a phosphate substituted carbapenem in the presence of a secondary amine, and benzyl alcohol; deprotecting with a Pd catalyst; antibiotic SHIONOGI & CO., LTD. (JP) 2011-04-26 US disclosed
US-20080171864-A1 Process for Producing Carbapenem Derivative and Intermediate Crystal Therefor SHIONOGI & CO., LTD. (JP) 2008-07-17 US disclosed
EP-0528678-B1 A pyrrolidylthiocarbapenem derivative with antibacterial activity SHIONOGI & CO (JP) 2001-05-23 EP disclosed
US-6180622-B1 ANTIMICROBIAL ACTIVITY AGAINST A WIDE RANGE OF BACTERIA INCLUDING GRAM-POSITIVE BACTERIA, GRAM-NEGATIVE BACTERIA, BETA-LACTAMASE-PRODUCING BACTERIA, RESISTANT PSEUDOMONAS AERUGINOSA,METHICILLIN-RESISTANT STAPHYLOCOCCUS AUREUS AND MEIJI SEIKA KAISHA, LTD. (JP) 2001-01-30 US disclosed
EP-0887352-A1 CARBAPENEM DERIVATIVES AND ANTIMICROBIALS MEIJI SEIKA KAISHA LTD. (JP) 1998-12-30 EP disclosed
US-5703243-A Intermediates for pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1997-12-30 US disclosed
EP-0411664-B1 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives BANYU PHARMA CO LTD (JP) 1995-01-18 EP disclosed
US-5317016-A Pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-31 US disclosed
EP-0528678-A1 A pyrrolidylthiocarbapenem derivative SHIONOGI SEIYAKU KABUSHIKI KAISHA trading under the name of SHIONOGI & CO. LTD. (JP) 1993-02-24 EP disclosed
US-5095013-A Antibiotics BANYU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0411664-A2 2-(2-Vinylpyrrolidinylthio)carbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-02-06 EP 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-20080171864-A1 Process for Producing Carbapenem Derivative and Intermediate Crystal Therefor SI, GSK3B, GSK3A ECE1 3621/4885SIGMAR1 1955/4885CYP19A1 3043/4885

“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.