SCHEMBL5095470

SCHEMBL5095470

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

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.34
CYP19A1 P11511 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
RAB9A P51151 1/20 0.32
AGTR2 P50052 1/20 0.31
ACE P12821 1/20 0.30
KMT2A Q03164 1/20 0.30
FAAH O00519 2/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL5095282 1.00 ATM (0.34) ATMCYP19A1SIGMAR1RAB9AAGTR2
SCHEMBL8786851 1.00 ATM (0.34) ATMCYP19A1SIGMAR1RAB9AAGTR2
SCHEMBL9130961 0.88 CYP19A1 (0.42) CYP19A1SIGMAR1
SCHEMBL9738223 0.88 CYP19A1 (0.42) CYP19A1SIGMAR1
SCHEMBL6399031 0.86 CYP19A1 (0.31) CYP19A1SIGMAR1
SCHEMBL8805750 0.84 SIGMAR1 (0.33) CYP19A1SIGMAR1FAAH
SCHEMBL8805757 0.84 SIGMAR1 (0.33) CYP19A1SIGMAR1
SCHEMBL7805577 0.82 ECE1 (0.33) CYP19A1SIGMAR1
SCHEMBL9567186 0.82 FAAH (0.32) CYP19A1FAAH
SCHEMBL9567071 0.81

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7342005-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2008-03-11 US disclosed
US-7041836-B2 Antibiotic compounds ASTRAZENECA UK LIMITED (GB) 2006-05-09 US disclosed
US-20050209212-A1 Antibiotic compounds ASTRAZENECA UK LIMITED 2005-09-22 US disclosed
US-20030144264-A1 Antibiotic compounds ZENECA LIMITED 2003-07-31 US disclosed
US-6541491-B1 Treating ras mediated diseases, especially cancer. ZENECA LIMITED (GB) 2003-04-01 US disclosed
US-6521612-B2 Antibiotic against grampositive, gramnegative bacteria ZENECA LTD. (GB) 2003-02-18 US disclosed
US-20020042408-A1 Antibiotic compounds ZENECA LIMITED 2002-04-11 US disclosed
US-6232338-B1 4-Mercaptopyrrolidine derivatives as farnesyl transferase inhibitors ZENECA LIMITED (GB) 2001-05-15 US disclosed
US-6187804-B1 Antibiotic compounds ZENECA LIMITED (GB) 2001-02-13 US 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
US-5527791-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1996-06-18 US disclosed
US-5478820-A Carbapenem deivatives; bactericides ZENECA LTD. (GB) 1995-12-26 US disclosed
US-5441949-A Carbapenem antibiotic compounds ZENECA LIMITED (GB) 1995-08-15 US disclosed
EP-0592167-A1 Antibiotic pyrrolidinylthiopenem derivatives ZENECA LIMITED (GB) 1994-04-13 EP disclosed
EP-0590885-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-04-06 EP disclosed
EP-0581500-A1 Antibiotic carbapenem compounds ZENECA LIMITED (GB) 1994-02-02 EP disclosed
EP-0579826-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1994-01-26 EP disclosed
WO-1993015078-A1 CARBAPENEMS CONTAINING A CARBOXY SUBSTITUTED PHENYL GROUP, PROCESSES FOR THEIR PREPARATION, INTERMEDIATES AND USE AS ANTIBIOTICS ZENECA LIMITED (GB) 1993-08-05 WO disclosed
WO-1992017481-A1 ANTIBIOTIC CARBAPENEM DERIVATIVES ZENECA LTD. (GB) 1992-10-15 WO disclosed
EP-0508682-A1 Antibiotic carbapenem derivatives ZENECA LIMITED (GB) 1992-10-14 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 (3 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-20050209212-A1 Antibiotic compounds NRDC, NPR3, NGLY1 ATM 3490/4885CYP19A1 2755/4885SIGMAR1 550/4885
US-20020042408-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ATM 3895/4885CYP19A1 3153/4885SIGMAR1 149/4885
US-20030144264-A1 Antibiotic compounds NRDC, NGLY1, NR4A1 ATM 3950/4885CYP19A1 3391/4885SIGMAR1 166/4885

“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.