SCHEMBL3828442

SCHEMBL3828442

O=C(O)S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.55
TSHR P16473 1/20 0.55
HTR6 P50406 1/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
MMP2 P08253 2/20 0.48
MMP1 P03956 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
CA12 O43570 1/20 0.48
CA3 P07451 1/20 0.48
CA4 P22748 1/20 0.48
CA6 P23280 1/20 0.48
CA5A P35218 1/20 0.48
CA7 P43166 1/20 0.48
PLA2G7 Q13093 1/20 0.48

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
Potassium SCHEMBL31612541 0.97 SMN1; SMN2 (0.52) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL7266697 0.83 SMN1; SMN2 (0.55) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL5276594 0.81 HTR6 (0.50) TSHRHTR6ALDH1A1LMNAMAPT
SCHEMBL28235593 0.79 HTT (0.53) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL1526740 0.79 SMN1; SMN2 (0.50) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL3245447 0.79 SMN1; SMN2 (0.53) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL10599045 0.78 SMN1; SMN2 (0.55) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL14432681 0.77 SMN1; SMN2 (0.54) SMN1; SMN2TSHRHTR6CA1CA2
SCHEMBL5187614 0.77 HSD11B1 (0.52) SMN1; SMN2TSHRHTR6ALDH1A1HSD17B10
SCHEMBL766980 0.77 GAA (0.54) SMN1; SMN2CA1CA2MMP2MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO claimed
EP-0786691-B1 Silver halide light sensitive emulsion layer having enhanced photographic sensitivity EASTMAN KODAK CO (US) 2004-12-29 EP claimed
US-4122079-A Reactive azo dyestuffs from diazotized sulfo-amino naphthalenes and diaminosulfobenzenes BAYER AKTIENGESELLSCHAFT (DE) 1978-10-24 US claimed
JP-56150832-A None JP disclosed
EP-3133053-B1 (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHINETSU CHEMICAL CO (JP) 2018-01-17 EP disclosed
US-9725400-B2 (E)-2-isopropyl-5-methyl-3,5-hexadienoate compound, method for producing the same, and methods for producing (E)-2-isopropyl-5-methyl-3,5-hexadienol and (E)-2-isopropyl-5-methyl-3,5-hexadienyl carboxylate by using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-08-08 US disclosed
US-20170050913-A1 (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-02-23 US disclosed
EP-3133053-A1 (E)-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2017-02-22 EP disclosed
EP-1522559-B1 WATER-SOLUBLE COMPLEX DYE, RECORDING FLUID, AND METHOD OF RECORDING MITSUBISHI CHEM CORP (JP) 2009-09-16 EP disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008060998-A1 INDOLE SULFONAMIDES AS SFRP-1 MODULATORS WYETH (US) 2008-05-22 WO disclosed
US-4130518-A Preparation of acrylated or methacrylated polymers utilizing a partially solubilized hydrocarbon fraction as the azeotroping medium CELANESE CORPORATION (US) 1978-12-19 US disclosed
US-4113592-A ULTRAVIOLET CURABLE COATINGS CELANESE CORPORATION (US) 1978-09-12 US disclosed
US-4077859-A Polyunsaturated halogenated monomers for use in ultraviolet coating systems CELANESE CORPORATION (US) 1978-03-07 US disclosed
US-4077858-A Completely polymerized ultraviolet cured coatings CELANESE CORPORATION (US) 1978-03-07 US disclosed
US-4042476-A TITANIUM DIOXIDE-ACRYLIC POLYMER EMULSION CELANESE CORPORATION (US) 1977-08-16 US disclosed
US-4035321-A Preparation of ultraviolet curable acrylated polymers CELANESE CORPORATION (US) 1977-07-12 US disclosed
US-4016334-A Method of applying high adhesion ultraviolet curable coatings and coated articles CELANESE CORPORATION (US) 1977-04-05 US disclosed
US-3992276-A Unsaturated polyesters for ultraviolet curable coatings CELANESE CORPORATION (US) 1976-11-16 US disclosed
US-3992275-A Low gloss ultraviolet curable coatings utilizing α,α,α-trichlorotoluene as a photoinitiator CELANESE CORPORATION (US) 1976-11-16 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 (1 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-20170050913-A1 (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOATE COMPOUND, METHOD FOR PRODUCING THE SAME, AND METHODS FOR PRODUCING (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENOL AND (E)-2-ISOPROPYL-5-METHYL-3,5-HEXADIENYL CARBOXYLATE BY USING THE SAME SHBG, GNE, PGRMC2 SMN1; SMN2 3564/4885TSHR 4112/4885HTR6 1880/4885

“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.