SCHEMBL3839235

SCHEMBL3839235

CCCCCCC(CC)C(=O)[O-].[Na+]

nearest known ligand 0.84

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 known ✓ P00918 8/20 0.84
▸ CA1 known ✓ P00915 6/20 0.59
▸ NFKB1 P19838 3/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ TSHR P16473 2/20 0.56
▸ NPSR1 Q6W5P4 2/20 0.56
▸ MAPK1 P28482 1/20 0.52
▸ GPR84 Q9NQS5 4/20 0.52
▸ GRIK1 P39086 1/20 0.46
▸ GRIK2 Q13002 1/20 0.46
▸ FFAR1 O14842 1/20 0.45

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
SCHEMBL30685115 1.00 CA2 (0.84) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL28366820 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL22772366 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL28957154 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL10944798 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL5057190 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
Potassium Ion SCHEMBL15821222 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
Lithium Ion SCHEMBL22772374 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL22772375 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
Potassium Ion SCHEMBL28483811 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470786-B2 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2008-12-30 — — US claimed
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-03-01 — — US claimed
US-20050059820-A1 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2005-03-17 — — US claimed
EP-1532130-B1 PROCESS FOR THE PRODUCTION OF AN IMMUNOSUPPRESSANT BIOCON LTD (IN) 2009-11-04 — — EP disclosed
US-7470786-B2 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2008-12-30 — — US disclosed
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM LUPIN LIMITED (RESEARCH PARK) (IN) 2008-08-21 — — US disclosed
EP-1532130-A4 PROCESS FOR THE PRODUCTION OF AN IMMUNOSUPPRESSANT BIOCON LTD (IN) 2008-03-19 — — EP disclosed
US-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-03-01 — — US disclosed
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium LUPIN LIMITED (RESEARCH PARK) (IN) 2007-01-18 — — US disclosed
EP-1532130-A1 PROCESS FOR THE PRODUCTION OF AN IMMUNOSUPPRESSANT Biocon Limited (IN) 2005-05-25 — — EP disclosed
US-20050059821-A1 Method for manufacture of ceftriaxone sodium DATTA DEBASHISH (IN) 2005-03-17 — — US disclosed
US-20050059820-A1 Method for manufacture of ceftriaxone sodium LUPIN LIMITED (IN) 2005-03-17 — — US disclosed
WO-2004020426-A1 PROCESS FOR THE PRODUCTION OF AN IMMUNOSUPPRESSANT BIOCON LIMITED (IN) 2004-03-11 — — WO 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 (5 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-20070049749-A1 Method for Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 CA2 1218/4885CA1 1613/4885NFKB1 3294/4885
US-20050059820-A1 Method for manufacture of ceftriaxone sodium TREH, CHAT, MRPL21 CA2 1218/4885CA1 1613/4885NFKB1 3294/4885
US-20070015917-A1 Method For Manufacture of Ceftriaxone Sodium TREH, CHAT, MRPL21 CA2 1218/4885CA1 1613/4885NFKB1 3294/4885
US-20080200670-A1 METHOD FOR THE MANUFACTURE OF CEFTRIAXONE SODIUM CHAT, TREH, MRPL21 CA2 1034/4885CA1 1294/4885NFKB1 3343/4885
US-20050059821-A1 Method for manufacture of ceftriaxone sodium TREH, CHAT, MRPL21 CA2 1218/4885CA1 1613/4885NFKB1 3294/4885

“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.

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