SCHEMBL9904994

SCHEMBL9904994

O=C(ON1C(=O)CCC1=O)C(CCSSc1ccccn1)S(=O)(=O)[O-].[Na+]

nearest known ligand 0.36

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 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.36
HDAC2 Q92769 13/20 0.36
LMNA P02545 2/20 0.32
ALDH1A1 P00352 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
EHMT2 Q96KQ7 1/20 0.31
EHMT1 Q9H9B1 1/20 0.31
APOBEC3G Q9HC16 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
SCHEMBL574827 0.90 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1L3MBTL1
SCHEMBL29353376 0.90 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1L3MBTL1
SCHEMBL18726574 0.90 HDAC1 (0.37) HDAC1HDAC2LMNAALDH1A1L3MBTL1
SCHEMBL18726765 0.84 HDAC1 (0.40) HDAC1HDAC2LMNAALDH1A1EHMT2
SCHEMBL9926762 0.83 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1L3MBTL1
SCHEMBL18896133 0.80 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL4348222 0.80 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL31005440 0.80 HDAC1 (0.39) HDAC1HDAC2LMNAALDH1A1SMN1; SMN2
SCHEMBL15994284 0.78 HPGD (0.38) HDAC1HDAC2LMNAALDH1A1
SCHEMBL18656418 0.78 HDAC1 (0.36) HDAC1HDAC2LMNAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107011253-B Method for producing charged crosslinkers 伊缪诺金公司 2021-01-15 CN disclosed
US-10112925-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2018-10-30 US disclosed
EP-3153504-B1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN INC (US) 2018-09-26 EP disclosed
US-20170327486-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. 2017-11-16 US disclosed
US-9663492-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2017-05-30 US disclosed
EP-3153504-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS ImmunoGen, Inc. (US) 2017-04-12 EP disclosed
US-20160272616-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. 2016-09-22 US disclosed
EP-2648510-B1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN INC (US) 2016-08-31 EP disclosed
US-9242936-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2016-01-26 US disclosed
US-20150166482-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. 2015-06-18 US disclosed
US-8921566-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2014-12-30 US disclosed
US-20140135502-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2014-05-15 US disclosed
US-8598362-B2 Methods for the preparation of charged crosslinkers IMMUNOGEN, INC. (US) 2013-12-03 US disclosed
EP-2648510-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS ImmunoGen, Inc. (US) 2013-10-16 EP disclosed
US-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2012-06-28 US disclosed
WO-2012078868-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS IMMUNOGEN, INC. (US) 2012-06-14 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 (6 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-20140135502-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS HDAC1 1195/4885HDAC2 1161/4885LMNA 1190/4885
US-10112925-B2 Methods for the preparation of charged crosslinkers SCLY, STOM, STS HDAC1 1195/4885HDAC2 1161/4885LMNA 1190/4885
US-20150166482-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS HDAC1 1195/4885HDAC2 1161/4885LMNA 1190/4885
US-20170327486-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS HDAC1 1195/4885HDAC2 1161/4885LMNA 1190/4885
US-20120165537-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS HDAC1 1195/4885HDAC2 1161/4885LMNA 1190/4885
US-20160272616-A1 METHODS FOR THE PREPARATION OF CHARGED CROSSLINKERS SCLY, STOM, STS HDAC1 1195/4885HDAC2 1161/4885LMNA 1190/4885

“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.