SCHEMBL2096747

SCHEMBL2096747

CCOC(=O)c1ccc(SSc2ccc(C(=O)OCC)cn2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HSD17B10 Q99714 1/20 0.56
CA12 O43570 3/20 0.51
CA1 P00915 3/20 0.51
CA2 P00918 3/20 0.51
CA7 P43166 3/20 0.51
CA9 Q16790 3/20 0.51
CA14 Q9ULX7 3/20 0.51
ESR1 P03372 1/20 0.51
ESR2 Q92731 1/20 0.51
LMNA P02545 2/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
HTT P42858 2/20 0.45
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL28150049 0.89 CA12 (0.50) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29800427 0.81 CA12 (0.56) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL659139 0.81 CA12 (0.56) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL811649 0.81 CA12 (0.56) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL152572 0.79 CA12 (0.59) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL30893690 0.79 CA12 (0.59) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL29637478 0.79 MAPK1 (0.61) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL1971939 0.79 MAPK1 (0.61) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL465881 0.78 LMNA (0.61) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6087503 0.78 CA12 (0.53) HPGDCYP1A2CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220193060-A1 Inhibition of IL-1 Induced Inflammation THIOLAB LLC (US) 2022-06-23 US claimed
WO-2020223608-A1 INHIBITION OF IL-1 AND IL-6 INFLAMMATION THIOLAB, LLC, (US) 2020-11-05 WO claimed
EP-1383499-B1 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES GRASSETTI FAMILY TRUST (US) 2013-03-06 EP claimed
US-8163776-B2 Immunomodulation by administering thione-forming dithiobis-heterocyclic compound, increased natural killer cell activity, expansion of NK cell population, decreased B cell population, decreased antibody production GRASSETTI FAMILY TRUST (US) 2012-04-24 US claimed
US-20040265327-A1 Method of immunomodulation using thione-forming disulfides GRASSETTI, DAVIDE 2004-12-30 US claimed
EP-1383499-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES Grassetti, Davide R. (US) 2004-01-28 EP claimed
WO-2002055080-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES GRASSETTI DAVIDE R (US) 2002-07-18 WO claimed
US-20220193060-A1 Inhibition of IL-1 Induced Inflammation THIOLAB LLC (US) 2022-06-23 US disclosed
WO-2020223608-A1 INHIBITION OF IL-1 AND IL-6 INFLAMMATION THIOLAB, LLC, (US) 2020-11-05 WO disclosed
EP-1383499-B1 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES GRASSETTI FAMILY TRUST (US) 2013-03-06 EP disclosed
US-8163776-B2 Immunomodulation by administering thione-forming dithiobis-heterocyclic compound, increased natural killer cell activity, expansion of NK cell population, decreased B cell population, decreased antibody production GRASSETTI FAMILY TRUST (US) 2012-04-24 US disclosed
US-8163776-B2 Immunomodulation by administering thione-forming dithiobis-heterocyclic compound, increased natural killer cell activity, expansion of NK cell population, decreased B cell population, decreased antibody production GRASSETTI FAMILY TRUST (US) 2012-04-24 US disclosed
US-20040265327-A1 Method of immunomodulation using thione-forming disulfides GRASSETTI, DAVIDE 2004-12-30 US disclosed
EP-1383499-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES Grassetti, Davide R. (US) 2004-01-28 EP disclosed
WO-2002055080-A2 METHOD OF IMMUNOMODULATION USING THIONE-FORMING DISULFIDES GRASSETTI DAVIDE R (US) 2002-07-18 WO disclosed
US-4378364-A DITHIOBIS(PYRIDINE-CARBOXYLIC ACID) TO RELIEVE PAIN, INCREASE APPETITE GRASSETTI DAVIDE R 1983-03-29 US disclosed
US-4152439-A 6,6-DITHIODINICOTINIC ACID, ESTER OR ALKALI METAL OR AMMONIUM SALT Grassetti, Davide R. (US) 1979-05-01 US 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-20040265327-A1 Method of immunomodulation using thione-forming disulfides TST, PBK, ICOS HPGD 185/4885CYP1A2 2536/4885CYP2C9 2140/4885
US-20220193060-A1 Inhibition of IL-1 Induced Inflammation IL1B, IL1A, IL6 HPGD 461/4885CYP1A2 1382/4885CYP2C9 1521/4885

“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.