SCHEMBL7529105

SCHEMBL7529105

CCOc1cc(O)c(C(=O)c2ccccc2)cc1S(=O)(=O)[O-].[Na+]

nearest known ligand 0.57

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
▸ PDE4A known ✓ P27815 1/20 0.42
▸ PDE4D known ✓ Q08499 1/20 0.42
▸ CA12 known ✓ O43570 1/20 0.38
▸ CA1 known ✓ P00915 1/20 0.38
▸ CA2 known ✓ P00918 1/20 0.38
▸ LMNA P02545 7/20 0.57
▸ MAPT P10636 4/20 0.57
▸ ALDH1A1 P00352 4/20 0.57
▸ KMT2A Q03164 3/20 0.57
▸ HPGD P15428 4/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ RECQL P46063 2/20 0.51
▸ HSD17B10 Q99714 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ MAPK1 P28482 3/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ PGR P06401 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42

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
SCHEMBL2988597 0.88 LMNA (0.74) LMNAMAPTALDH1A1KMT2AHPGD
SCHEMBL7529102 0.86 LMNA (0.73) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL338882 0.86 LMNA (0.76) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL29378407 0.86 LMNA (0.76) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL28588923 0.85 LMNA (0.74) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL6295947 0.84 LMNA (0.76) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL10491696 0.84 LMNA (0.76) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL11277588 0.84 LMNA (0.76) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL10621756 0.84 LMNA (0.76) LMNAMAPTALDH1A1KMT2AHPGD
Sulisobenzone SCHEMBL10723288 0.84 LMNA (0.76) LMNAMAPTALDH1A1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020041889-A1 ENHANCING AGENT FOR DEGRADATION OF DESMOSOMES OR STRATUM CORNEUM DESQUAMATION SHISEIDO COMPANY, LTD. (JP) 2002-04-11 — — US disclosed
EP-0601698-B1 Topical composition comprising tocopherol SHISEIDO CO LTD (JP) 1998-07-08 — — EP disclosed
EP-0601698-A1 Topical composition comprising tocopherol SHISEIDO COMPANY LIMITED (JP) 1994-06-15 — — 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-20020041889-A1 ENHANCING AGENT FOR DEGRADATION OF DESMOSOMES OR STRATUM CORNEUM DESQUAMATION DSG1, DSC1, CUTA PDE4A 2687/4885PDE4D 2581/4885CA12 4418/4885

“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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