SCHEMBL1403492

SCHEMBL1403492

CCOC(=O)CCCCCS(=O)(=O)[O-].[Na+]

nearest known ligand 0.48

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 20)

geneUniProtsupporting neighboursconfidence
ADORA3 known ✓ P0DMS8 1/20 0.40
PTGS2 known ✓ P35354 1/20 0.40
PDE4D known ✓ Q08499 1/20 0.40
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 2/20 0.45
ALOX15 P16050 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
TSHR P16473 2/20 0.45
CYP3A4 P08684 1/20 0.45
HSD17B10 Q99714 1/20 0.45
DGKA P23743 1/20 0.44
GAA P10253 2/20 0.43
USP2 O75604 1/20 0.41
PAM P19021 2/20 0.41
KMT2A Q03164 2/20 0.41
EPHX2 P34913 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP4F2 P78329 1/20 0.40

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
SCHEMBL31299708 1.00 CYP1A2 (0.48) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL1402722 0.98 CYP1A2 (0.50) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL27531796 0.93 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1TSHR
Lithium Ion SCHEMBL5014805 0.89 CYP1A2 (0.52) CYP1A2ALDH1A1ALOX15TDP1TSHR
SCHEMBL10643440 0.85 CYP1A2 (0.45) CYP1A2ALDH1A1ALOX15TDP1TSHR
Propionamide SCHEMBL28316301 0.85 CYP1A2 (0.49) CYP1A2ALDH1A1ALOX15TDP1TSHR
Sulfuric Acid SCHEMBL28105325 0.84 DGKA (0.60) CYP1A2ALDH1A1TSHRDGKAPAM
Sulfuric Acid SCHEMBL5414399 0.84 DGKA (0.60) CYP1A2ALDH1A1TSHRDGKAPAM
Sulfuric Acid SCHEMBL668669 0.84 DGKA (0.60) CYP1A2ALDH1A1TSHRDGKAPAM
Sulfuric Acid SCHEMBL31040599 0.81 DGKA (0.57) CYP1A2ALDH1A1TSHRDGKAPAM

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
US-20250197387-A1 BCL-XL DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2025-06-19 US disclosed
US-20250171435-A1 Carbon Linked BCL Inhibitors and Senolytic Compounds and Uses Thereof Rubedo Life Sciences, Inc. 2025-05-29 US disclosed
EP-4401729-A1 BCL-XL DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-07-24 EP disclosed
WO-2023044046-A1 BCL-XL DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-03-23 WO disclosed
EP-2292593-A2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TopoTarget UK Limited (GB) 2011-03-09 EP disclosed
US-7557140-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2009-07-07 US disclosed
US-7407988-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2008-08-05 US disclosed
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS TOPOTARGET UK LIMITED (GB) 2008-07-03 US disclosed
US-7183298-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2007-02-27 US disclosed
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2007-01-04 US disclosed
US-20050107445-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors PROLIFIX LIMITED (GB) 2005-05-19 US disclosed
US-6888027-B2 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPOTARGET UK LIMITED (GB) 2005-05-03 US disclosed
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors TOPO TARGET UK LIMITED, (GB) 2005-04-21 US disclosed
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors SWK FUNDING LLC 2004-04-22 US disclosed
EP-1328510-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LTD. (GB) 2003-07-23 EP disclosed
WO-2002030879-A2 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS PROLIFIX LIMITED (GB) 2002-04-18 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 (7 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-20050107445-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 ADORA3 3672/4885PTGS2 1432/4885PDE4D 4217/4885
US-20070004806-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 ADORA3 3672/4885PTGS2 1432/4885PDE4D 4217/4885
US-20080161401-A1 CARBAMIC ACID COMPOUNDS COMPRISING A SULFONAMIDE LINKAGE AS HDAC INHIBITORS HDAC1, HDAC11, HDAC3 ADORA3 3672/4885PTGS2 1432/4885PDE4D 4217/4885
US-20250197387-A1 BCL-XL DEGRADERS AND USES THEREOF XIAP, BCL2L1, BCL2L10 ADORA3 4819/4885PTGS2 4597/4885PDE4D 4275/4885
US-20250171435-A1 Carbon Linked BCL Inhibitors and Senolytic Compounds and Uses Thereof BCL2, BCL2A1, BCL2L1 ADORA3 4426/4885PTGS2 718/4885PDE4D 4342/4885
US-20040077726-A1 Carbamic acid compounds comprising a sulfonamide linkage as hdac inhibitors HDAC1, HDAC11, HDAC2 ADORA3 3889/4885PTGS2 1107/4885PDE4D 4383/4885
US-20050085515-A1 Carbamic acid compounds comprising a sulfonamide linkage as HDAC inhibitors HDAC1, HDAC11, HDAC3 ADORA3 3672/4885PTGS2 1432/4885PDE4D 4217/4885

“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.