SCHEMBL5865893

SCHEMBL5865893

Cn1c(=O)cc(C(F)(F)F)c2cc(S(=O)(=O)[O-])ccc21.[Na+]

nearest known ligand 0.50

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 6)

geneUniProtsupporting neighboursconfidence
NR3C1 known ✓ P04150 1/20 0.40
PARG Q86W56 1/20 0.50
AR P10275 17/20 0.46
PGR P06401 8/20 0.43
PIK3CG P48736 1/20 0.40
NR3C2 P08235 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
SCHEMBL5865904 0.86 PARG (0.47) PARGARPGRPIK3CGNR3C1
SCHEMBL6023005 0.86 PIK3CG (0.57) PARGARPGRPIK3CGNR3C1
SCHEMBL6022453 0.86 AR (0.48) PARGARPGRPIK3CGNR3C1
SCHEMBL5865896 0.84 AR (0.47) PARGARPGRPIK3CGNR3C1
SCHEMBL5865901 0.79 HSD17B10 (0.57) AR
SCHEMBL5865914 0.79 HSD17B10 (0.57) AR
SCHEMBL5865882 0.78 SMN1; SMN2 (0.61) PARGARPGR
SCHEMBL6022407 0.77 KMT2A (0.59) PARG
SCHEMBL5865870 0.77 ALDH1A1 (0.45) PARGARPGRNR3C1NR3C2
SCHEMBL21957297 0.77 AR (0.50) ARPGRNR3C1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064207-B2 6-sulfonamido-quinolin-2-one and 6-sulfonamido-2-oxo-chromene derivatives, useful for treating alopecia, acne and oily skin WARNER LAMBERT COMPANY LLC (US) 2006-06-20 US disclosed
US-7009052-B2 Sulfonamide derivatives WARNER LAMBERT COMPANY LLC (US) 2006-03-07 US disclosed
EP-1587804-A1 ANDROGEN RECEPTOR ANTAGONISTS Warner-Lambert Company LLC (US) 2005-10-26 EP disclosed
US-20050085467-A1 Androgen receptor antagonists DU DANIEL Y (US) 2005-04-21 US disclosed
US-20050004367-A1 Sulfonamide derivatives DU DANIEL Y (US) 2005-01-06 US disclosed
WO-2004065379-A1 ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-08-05 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 (2 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-20050085467-A1 Androgen receptor antagonists AR, NR5A1, ESRRB NR3C1 44/4885PARG 4544/4885AR 1/4885
US-20050004367-A1 Sulfonamide derivatives AR, SULT2A1, SHBG NR3C1 424/4885PARG 4609/4885AR 1/4885

“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.