SCHEMBL2404507

SCHEMBL2404507

Cc1ccc(S(=O)(=O)[N-]Cl)cc1.O=C(O)[C@H]1NCCC1O.[Na+]

nearest known ligand 0.52

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 16)

geneUniProtsupporting neighboursconfidence
▸ CA1 known ✓ P00915 3/20 0.38
▸ CA2 known ✓ P00918 3/20 0.38
▸ NOD2 known ✓ Q9HC29 1/20 0.33
▸ ALDH1A1 P00352 5/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SLC1A2 P43004 1/20 0.33
▸ TAS2R14 Q9NYV8 1/20 0.32
▸ SPHK1 Q9NYA1 1/20 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
SCHEMBL5702318 0.85 ALDH1A1 (0.40) CA1CA2ALDH1A1MEN1KMT2A
Cyclopropane Carboxylic Acid SCHEMBL10978847 0.79 ALDH1A1 (0.57) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7098700 0.76 ALDH1A1 (0.34) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL4778393 0.75 ALDH1A1 (0.43) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL4778394 0.75 ALDH1A1 (0.43) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7046780 0.74 HTR6 (0.38) ALDH1A1MEN1KMT2ATSHRPOLB
Trichloroacetic Acid SCHEMBL7739321 0.74 ALDH1A1 (0.41) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL5691690 0.74 EGLN1 (0.50) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL4726308 0.73 RAB9A (0.37) CA1CA2ALDH1A1MEN1KMT2A
Methyl Alcohol SCHEMBL7073942 0.73 GAA (0.48) CA1CA2ALDH1A1MEN1KMT2A

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-20230295573-A1 ENGINEERED NEOCARTILAGE TISSUE COMPOSITIONS UNIV CALIFORNIA (US) 2023-09-21 — — US disclosed
US-11696929-B2 Methods and systems for conserving highly expanded cells THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-07-11 — — US disclosed
US-20220025331-A1 METHODS AND SYSTEMS FOR IMPROVING CELLS FOR USE IN THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2022-01-27 — — US disclosed
US-20190085292-A1 METHODS AND SYSTEMS FOR IMPROVING CELLS FOR USE IN THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-03-21 — — US disclosed
US-20190083544-A1 METHODS AND SYSTEMS FOR CONSERVING HIGHLY EXPANDED CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2019-03-21 — — US disclosed
WO-2014065863-A1 COMPOSITIONS AND METHODS FOR PROMOTING COLLAGEN-CROSSLINKING THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-01 — — WO disclosed
US-20110212894-A1 DECELLULARIZATION METHOD FOR SCAFFOLDLESS TISSUE ENGINEERED ARTICULAR CARTILAGE OR NATIVE CARTILAGE TISSUE ATHANASIOU KYRIACOS A 2011-09-01 — — US disclosed
WO-2010022074-A1 A DECELLULARIZATION METHOD FOR SCAFFOLDLESS TISSUE ENGINEERED ARTICULAR CARTILAGE OR NATIVE CARTILAGE TISSUE WILLIAM MARSH RICE UNIVERSITY (US) 2010-02-25 — — WO disclosed
US-20090142307-A1 Shape-Based Approach for Scaffoldless Tissue Engineering NATIONAL INSTITUTES OF HEALTH 2009-06-04 — — US disclosed
EP-2007312-A2 A SHAPE-BASED APPROACH FOR SCAFFOLDLESS TISSUE ENGINEERING William Marsh Rice University (US) 2008-12-31 — — EP disclosed
WO-2007115336-A2 A SHAPE-BASED APPROACH FOR SCAFFOLDLESS TISSUE ENGINEERING WILLIAM MARSH RICE UNIVERSITY (US) 2007-10-11 — — WO disclosed
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