SCHEMBL183582

SCHEMBL183582

CCC(CCCCCl)C(=O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.45
MAPK1 P28482 1/20 0.45
CA1 P00915 4/20 0.39
SLC1A2 P43004 3/20 0.34
SLC1A1 P43005 3/20 0.34
GRIK1 P39086 2/20 0.34
GRIK2 Q13002 2/20 0.34
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC1A3 P43003 2/20 0.32

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
SCHEMBL3616152 0.94 CA2 (0.47) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL4142302 0.82 CA2 (0.63) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3014658 0.81 CA2 (0.68) CA2MAPK1CA1SLC1A2SLC1A1
Hydrochloric Acid SCHEMBL30807529 0.80 CA2 (0.55) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL1131871 0.77 CA2 (0.68) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL3020928 0.76 CHRM1 (0.56) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL165103 0.75 CA2 (0.44) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL10902355 0.74 CA2 (0.46) CA2MAPK1CA1SLC1A2SLC1A1
SCHEMBL35211562 0.73 ACE2 (0.37) CA1GPR84FFAR1TSHRALDH1A1
SCHEMBL28703820 0.73 CA2 (0.47) CA2MAPK1CA1GRIK1GRIK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111285781-B Preparation method of cilastatin sodium key intermediate 鲁南制药集团股份有限公司 2022-08-05 CN disclosed
CN-111285781-A Preparation method of cilastatin sodium key intermediate 鲁南制药集团股份有限公司 2020-06-16 CN disclosed
US-20120253066-A1 PROCESS FOR THE PREPARATION OF CILASTATIN SODIUM ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-10-04 US disclosed
US-8247606-B2 Process for the preparation of cilastatin and sodium salt ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-08-21 US disclosed
US-20120078009-A1 PROCESS FOR THE PREPARATION OF CILASTATIN AND SODIUM SALT ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-03-29 US disclosed
US-8134026-B2 Process for the preparation of Cilastatin and sodium salt ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2012-03-13 US disclosed
EP-2402312-A1 An improved process for the preparation of cilastatin acid Orchid Chemicals&Pharmaceuticals Limited (IN) 2012-01-04 EP disclosed
WO-2011080648-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF CILASTATIN SODIUM ORCHID CHEMICALS AND PHARMACEUTICALS LIMITED (IN) 2011-07-07 WO disclosed
WO-2011061609-A2 PROCESSES FOR THE PREPARATION OF CILASTATIN RANBAXY LABORATORIES LIMITED (IN) 2011-05-26 WO disclosed
US-20090143614-A1 Process for the Preparation of Cilastatin and Sodium Salt ORCHID CHEMICALS & PHARMACEUTICALS LIMITED ORCHID TOWERS (IN) 2009-06-04 US disclosed
US-4668504-A Use of substituted propenoates to prevent nephrotoxicity of certain antibiotics MERCK & CO., INC. (US) 1987-05-26 US disclosed
EP-0072014-B1 COMBINATION OF 2-SUBSTITUTED PENEMS WITH DIPEPTIDASE INHIBITORS MERCK & CO. INC. (US) 1986-12-30 EP disclosed
US-4616038-A BACTERICIDES MERCK & CO., INC. (US) 1986-10-07 US disclosed
EP-0048025-B1 ANTIBACTERIAL COMPOSITION OF THIENAMYCIN TYPE COMPOUND AND A DIPEPTIDASE INHIBITOR MERCK & CO. INC. (US) 1986-01-15 EP disclosed
EP-0161546-A1 Combination of 2-substituted carbapenems with dipeptidase inhibitors MERCK & CO. INC. (US) 1985-11-21 EP disclosed
US-4539208-A Combination of thienamycin-type antibiotics with dipeptidase inhibitors MERCK & CO., INC. (US) 1985-09-03 US disclosed
EP-0072014-A1 Combination of 2-substituted penems with dipeptidase inhibitors MERCK & CO. INC. (US) 1983-02-16 EP disclosed
EP-0048301-A1 2-(Cyclopropane-carboxamido)-2-alkenoic acids, their esters and salts, and antibacterial compositions comprising the same and a thienamycin-type compound MERCK & CO. INC. (US) 1982-03-31 EP disclosed
EP-0048025-A1 Antibacterial composition of thienamycin type compound and a dipeptidase inhibitor MERCK & CO. INC. (US) 1982-03-24 EP disclosed
EP-0028778-A1 Antibacterial compositions comprising a beta-lactam-type compound and a 3-substituted propenoate MERCK & CO. INC. (US) 1981-05-20 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-20120253066-A1 PROCESS FOR THE PREPARATION OF CILASTATIN SODIUM ACSL3, PDE12, ACSL5 CA2 419/4885MAPK1 1312/4885CA1 2238/4885
US-20120078009-A1 PROCESS FOR THE PREPARATION OF CILASTATIN AND SODIUM SALT PCSK9, HMGCR, PCSK7 CA2 18/4885MAPK1 2146/4885CA1 910/4885
US-20090143614-A1 Process for the Preparation of Cilastatin and Sodium Salt PCSK9, PCSK7, HMGCR CA2 18/4885MAPK1 2140/4885CA1 775/4885

“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.