SCHEMBL620482

SCHEMBL620482

Cc1nc2cccc(OCC(C)(C)C(=O)NC(C)C)c2c(N)c1C(=O)[O-].[Na+]

nearest known ligand 0.39

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 11)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 10/20 0.36
SSTR1 P30872 4/20 0.35
DGAT1 O75907 1/20 0.34
DCPS Q96C86 2/20 0.33
PIK3CD O00329 1/20 0.33
TP53 P04637 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NCF1 P14598 1/20 0.31
ACHE P22303 1/20 0.31
KCNH2 Q12809 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31

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
SCHEMBL621646 0.90 MEN1 (0.38) SSTR4SSTR1DGAT1DCPSPIK3CD
SCHEMBL29976534 0.90 MEN1 (0.38) SSTR4SSTR1DGAT1DCPSPIK3CD
SCHEMBL28451324 0.90 MEN1 (0.38) SSTR4SSTR1DGAT1DCPSPIK3CD
SCHEMBL18824050 0.89 SSTR4 (0.36) SSTR4SSTR1DGAT1PIK3CDTP53
SCHEMBL619322 0.88 GABRP (0.41) TP53HSD17B10ACHE
Sulfuric Acid SCHEMBL26630523 0.87 MEN1 (0.36) SSTR4SSTR1DGAT1DCPSPIK3CD
Phosphoric Acid SCHEMBL16606192 0.87 MEN1 (0.36) SSTR4SSTR1DGAT1DCPSPIK3CD
Sulfuric Acid SCHEMBL26630521 0.87 MEN1 (0.36) SSTR4SSTR1DGAT1DCPSPIK3CD
SCHEMBL16606193 0.85 DGAT1 (0.34) SSTR4DGAT1PIK3CDTP53HSD17B10
SCHEMBL620085 0.81 MEN1 (0.37) SSTR4SSTR1DCPSPIK3CDTP53

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
EP-2603098-B1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED (US) 2025-08-06 EP disclosed
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer FIREMENICH INCORPORATED (US) 2021-09-28 US disclosed
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2019-07-11 US disclosed
US-10244779-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2019-04-02 US disclosed
US-9834544-B2 Sweet flavor modifier SENOMYX, INC. (US) 2017-12-05 US disclosed
EP-2742026-B1 SWEET FLAVOR MODIFIER SENOMYX INC (US) 2016-10-05 EP disclosed
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER FIRMENICH INCORPORATED 2015-09-03 US disclosed
US-20150141527-A1 SWEET FLAVOR MODIFIER FIRMENICH INCORPORATED 2015-05-21 US disclosed
US-9000054-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer SENOMYX, INC. (US) 2015-04-07 US disclosed
US-8815956-B2 Sweet flavor modifier SENOMYX, INC. (US) 2014-08-26 US disclosed
EP-2742026-A1 SWEET FLAVOR MODIFIER Senomyx, Inc. (US) 2014-06-18 EP disclosed
EP-2603098-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER Senomyx, Inc. (US) 2013-06-19 EP disclosed
WO-2013025560-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2013-02-21 WO disclosed
US-20130041046-A1 SWEET FLAVOR MODIFIER SENOMYX, INC. (US) 2013-02-14 US disclosed
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 US disclosed
WO-2012021837-A2 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER SENOMYX, INC. (US) 2012-02-16 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-10244779-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 SSTR4 2147/4885SSTR1 2142/4885DGAT1 966/4885
US-20120041078-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 SSTR4 2147/4885SSTR1 2142/4885DGAT1 966/4885
US-20150245642-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 SSTR4 2147/4885SSTR1 2142/4885DGAT1 966/4885
US-20130041046-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SSTR4 764/4885SSTR1 715/4885DGAT1 868/4885
US-11129397-B2 Method of improving stability of sweet enhancer and composition containing stabilized sweet enhancer TFEB, TREH, SLC2A8 SSTR4 2147/4885SSTR1 2142/4885DGAT1 966/4885
US-20150141527-A1 SWEET FLAVOR MODIFIER TAS2R5, TAS2R10, TAS2R50 SSTR4 764/4885SSTR1 715/4885DGAT1 868/4885
US-20190208802-A1 METHOD OF IMPROVING STABILITY OF SWEET ENHANCER AND COMPOSITION CONTAINING STABILIZED SWEET ENHANCER TFEB, TREH, SLC2A8 SSTR4 2147/4885SSTR1 2142/4885DGAT1 966/4885

“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.