SCHEMBL18114064

SCHEMBL18114064

Cc1cc(C)c(C(C)(C)CC(=O)[S-])c(OC(=O)C(C)(C)C)c1.[Na+]

nearest known ligand 0.40

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 10)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 14/20 0.40
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ CYP2C9 P11712 1/20 0.31
▸ CETP P11597 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
SCHEMBL18114045 0.88 ELANE (0.35) ELANEMAPTLMNAALDH1A1CYP2C9
SCHEMBL18114101 0.86 ELANE (0.44) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL18121451 0.85 ELANE (0.40) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL18114065 0.84 ELANE (0.38) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL20110944 0.83 ELANE (0.43) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL18114031 0.82 POLB (0.32) LMNA
SCHEMBL18114060 0.81 ELANE (0.41) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL18114100 0.80 ELANE (0.40) ELANEMAPTLMNANPSR1ALDH1A1
SCHEMBL25654130 0.78 ELANE (0.40) ELANEMAPTLMNANPSR1ALDH1A1
Thiosulfuric Acid SCHEMBL28604410 0.77 ELANE (0.37) ELANEMAPTLMNANPSR1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3277662-B1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF UNIV GEORGIA STATE RES FOUND (US) 2025-01-22 — — EP disclosed
US-10689335-B2 Hydrogen sulfide precursors and conjugates thereof GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) 2020-06-23 — — US disclosed
US-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION, INC (US) 2018-05-03 — — US disclosed
EP-3277662-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF Georgia State University Research Foundation (US) 2018-02-07 — — EP disclosed
WO-2016161445-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF GEORGIA STATE UNIVERSITY RESEARCH FOUNDATION (US) 2016-10-06 — — 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-10689335-B2 Hydrogen sulfide precursors and conjugates thereof CBS, TST, STS ELANE 559/4885MAPT 4618/4885LMNA 4368/4885
US-20180118674-A1 HYDROGEN SULFIDE PRECURSORS AND CONJUGATES THEREOF CBS, TST, STS ELANE 559/4885MAPT 4618/4885LMNA 4368/4885

“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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