SCHEMBL1040130

SCHEMBL1040130

CC(=O)OCCC(S)CS

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
CHRM3 P20309 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
PGR P06401 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
TBXA2R P21731 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA7 P36544 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40
TSHR P16473 1/20 0.40
GALR3 O60755 2/20 0.39

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
SCHEMBL11824999 0.88 ALDH1A1 (0.48) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL19896370 0.83 ALDH1A1 (0.46) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL5026819 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL5026818 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL112254 0.81 ALDH1A1 (0.50) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL3244031 0.78 ALDH1A1 (0.57) ALOX15ALDH1A1CHRM5CHRM1CHRM3
Acetic Acid SCHEMBL21408590 0.78 ALDH1A1 (0.47) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL3244027 0.78 ALDH1A1 (0.57) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL3244029 0.78 ALDH1A1 (0.57) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL31053838 0.78 ALDH1A1 (0.57) ALOX15ALDH1A1CHRM5CHRM1CHRM3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3217212-A1 LIQUID CRYSTAL DISPLAY ELEMENT Nissan Chemical Industries, Ltd. (JP) 2017-09-13 EP disclosed
US-8357723-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-22 US disclosed
US-8354455-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-15 US disclosed
US-8349901-B2 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited and Apparao Satyam (IN) 2013-01-08 US disclosed
US-8299176-B2 Thermosetting poly(thio)urethane formulation comprising at least one block copolymer and use thereof in optics for the production of organic lenses having improved toughness ESSILOR INTERNATIONAL (COMPAGNIE GENERALE D'OPTIQUE) (FR) 2012-10-30 US disclosed
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-10 US disclosed
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS PIRAMAL LIFE SCIENCES LIMITED 2011-11-03 US disclosed
US-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS Piramal Life Science Limited 2011-11-03 US disclosed
US-7932294-B2 Prodrugs containing novel bio-cleavable linkers APPARAO SATYAM (IN) 2011-04-26 US disclosed
EP-2269657-A2 Prodrugs containing novel bio-cleavable linkers Piramal Life Sciences Limited (IN) 2011-01-05 EP disclosed
US-20060046967-A1 Prodrugs containing novel bio-cleavable linkers Piramal Enterprises Limited (IN) 2006-03-02 US disclosed
US-6635730-B1 Photopolymerizable composition forming lenses with low yellowing index and good resistance to aging ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-10-21 US disclosed
US-6627718-B2 Polythio(meth)acrylate, bridged ethylenically unsaturated monomoer, and polythiol ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-09-30 US disclosed
US-20030109655-A1 Polymerizable compositions for making optical lens with high refractive index and high abbe number, and resulting lens ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-06-12 US disclosed
US-6533815-B1 Polythioether-copolycarbon/other/ copolymer; copolymer of a polythiol monomer and a bis-norbornene monomer ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2003-03-18 US disclosed
US-6479606-B1 Polymerizable compositions for making optical lens with high refractive index and high abbe number, and resulting lens ESSILOR INTERNATIONAL COMPAGNIE GENERALE D'OPTIQUE (FR) 2002-11-12 US disclosed
EP-0394495-B1 4,4'-BIS(METHACRYLOYLTHIO)DIPHENYL SULFIDE AND CURABLE COMPOSITION CONTAINING SAME SUMITOMO SEIKA CHEMICALS (JP) 1994-08-31 EP disclosed
US-5270439-A Method of producing a curable composition containing 4,4'-bis(methacryloylthio)diphenylsulfide SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1993-12-14 US disclosed
US-5183917-A Curable; optics, coatings, seals, adhesives, paints SHOWA DENKO K.K. (JP) 1993-02-02 US disclosed
EP-0394495-A1 4,4'-BIS(METHACRYLOYLTHIO)DIPHENYL SULFIDE AND CURABLE COMPOSITION CONTAINING SAME SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 1990-10-31 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 (4 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-20110269722-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 ALOX15 1077/4885ALDH1A1 229/4885CHRM5 3791/4885
US-20110274695-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 ALOX15 1077/4885ALDH1A1 229/4885CHRM5 3791/4885
US-20060046967-A1 Prodrugs containing novel bio-cleavable linkers SI, UGT1A1, CYP2B6 ALOX15 1077/4885ALDH1A1 229/4885CHRM5 3791/4885
US-20110269709-A1 PRODRUGS CONTAINING NOVEL BIO-CLEAVABLE LINKERS SI, UGT1A1, CYP2B6 ALOX15 1077/4885ALDH1A1 229/4885CHRM5 3791/4885

“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.