SCHEMBL4881102

SCHEMBL4881102

COc1cccc(C2(C(=O)NS(=O)(=O)[O-])CCN(c3ccccc3OC)CC2)c1.[Na+]

nearest known ligand 0.73

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 8)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 5/20 0.51
DRD4 P21917 6/20 0.45
DRD2 P14416 5/20 0.45
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.43
POLB P06746 1/20 0.43
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43

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
SCHEMBL4876634 0.90 SOAT1 (0.52) SOAT1DRD4DRD2KMT2A
Hydrochloric Acid SCHEMBL4880947 0.89 SOAT1 (0.51) SOAT1DRD4DRD2KMT2A
SCHEMBL4880002 0.88 SOAT1 (0.50) SOAT1DRD4DRD2KMT2A
SCHEMBL4872157 0.87 KMT2A (0.51) SOAT1KMT2ATP53POLB
SCHEMBL4881317 0.86 SOAT1 (0.49) SOAT1DRD4DRD2KMT2A
SCHEMBL4878421 0.85 SOAT1 (0.50) SOAT1DRD4DRD2
SCHEMBL4878061 0.85 SOAT1 (0.58) SOAT1DRD4DRD2KMT2A
SCHEMBL4876840 0.84 SOAT1 (0.49) SOAT1DRD4DRD2KMT2A
SCHEMBL14520343 0.83 SOAT1 (0.57) SOAT1DRD4DRD2
SCHEMBL14520340 0.83 SOAT1 (0.55) SOAT1DRD4DRD2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 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 (1 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 SOAT1 502/4885DRD4 191/4885DRD2 715/4885

“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.