SCHEMBL70901

SCHEMBL70901

Cc1ccc(S(=O)(=O)OC[C@H](O)[C@@H](O)COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.46
GAA P10253 2/20 0.43
DHODH Q02127 1/20 0.43
ALDH1A1 P00352 5/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
MMP1 P03956 1/20 0.41
MMP2 P08253 1/20 0.41
MMP9 P14780 1/20 0.41
MMP8 P22894 1/20 0.41
MMP13 P45452 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2D6 P10635 1/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA6 P23280 1/20 0.41

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
SCHEMBL1730532 1.00 STAT3 (0.46) STAT3GAADHODHALDH1A1CA1
SCHEMBL70900 1.00 STAT3 (0.46) STAT3GAADHODHALDH1A1CA1
SCHEMBL16488723 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL2225071 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL2225063 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL16468235 0.93 STAT3 (0.42) STAT3GAADHODHALDH1A1CA1
SCHEMBL15189067 0.93 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1
SCHEMBL8172920 0.93 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1
SCHEMBL8173710 0.93 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1
SCHEMBL14081828 0.91 STAT3 (0.43) STAT3GAADHODHALDH1A1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2024-11-14 US disclosed
EP-4059934-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS Novartis AG (CH) 2022-09-21 EP disclosed
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS NOVARTIS AG (CH) 2021-04-08 US disclosed
EP-1961750-B1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO CO LTD (JP) 2013-09-18 EP disclosed
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US disclosed
US-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
EP-1961750-A1 VLA-4 INHIBITORY DRUG Daiichi Sankyo Company, Limited (JP) 2008-08-27 EP disclosed
US-5886190-A REACTING GLYCEROL-1,3-DITOSYLATE-2-O-ACETYLATE WITH 2-NITROIMIDAZOLE TO FORM CHEMICAL INTERMEDIATE 1-(2'-NITRO-1'-IMIDAZOLYL)-2-O-ACETYL-3-O-TOSYLPROPANOL IN PRESENCE OF DIMETHYLFORMAMIDE AND CESIUM CARBONATE WALLACE SIDNEY (US) 1999-03-23 US disclosed
US-5728843-A POSITRON EMISSION TOMOGRAPHY(PET) TO DIFFERENTIATE METABOLICALLY ACTIVE HYPOXIC TUMOR CELLS WALLACE TECHNOLOGIES (US) 1998-03-17 US disclosed
WO-1995009844-A1 RAPID SYNTHESIS AND USE OF 18F-FLUOROMISONIDAZOLE AND ANALOGS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1995-04-13 WO disclosed
US-5235063-A Acetal derivatives of 3-aryl-2-oxazolidine; antidepressants DELALANDE S.A. (FR) 1993-08-10 US disclosed
US-5036090-A Antidepressants DELALANDE S.A. (FR) 1991-07-30 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 (5 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-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 STAT3 1579/4885GAA 2114/4885DHODH 1920/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 STAT3 1586/4885GAA 1897/4885DHODH 1756/4885
US-20240376099-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 STAT3 1661/4885GAA 182/4885DHODH 3560/4885
US-20210101902-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF ENDOSOMAL TOLL-LIKE RECEPTORS TLR3, TLR1, TLR4 STAT3 1661/4885GAA 182/4885DHODH 3560/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 STAT3 1784/4885GAA 1989/4885DHODH 2618/4885

“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.