SCHEMBL68558

SCHEMBL68558

Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.64
CA2 P00918 2/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
ALDH1A1 P00352 3/20 0.41
CYP3A4 P08684 3/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
STAT3 P40763 1/20 0.33
GRK2 P25098 1/20 0.33

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
SCHEMBL6286314 1.00 HPGD (0.64) HPGDCA2CA1CA9ALDH1A1
SCHEMBL4227195 1.00 HPGD (0.64) HPGDCA2CA1CA9ALDH1A1
SCHEMBL7148239 1.00 HPGD (0.64) HPGDCA2CA1CA9ALDH1A1
SCHEMBL15685476 0.88 CA2 (0.61) HPGDCA2CA1CA9ALDH1A1
SCHEMBL2305466 0.88 CA2 (0.61) HPGDCA2CA1CA9ALDH1A1
SCHEMBL4587323 0.88 CA2 (0.61) HPGDCA2CA1CA9ALDH1A1
SCHEMBL14178477 0.88 CA2 (0.61) HPGDCA2CA1CA9ALDH1A1
SCHEMBL15833416 0.88 CA2 (0.61) HPGDCA2CA1CA9ALDH1A1
SCHEMBL14199406 0.88 CA2 (0.61) HPGDCA2CA1CA9ALDH1A1
SCHEMBL10888537 0.88 HPGD (0.49) HPGDCA2CA1CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130065882-A1 VLA-4 inhibitory drug MACHINAGA NOBUO (JP) 2013-03-14 US 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-20120157437-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-06-21 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-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-8129366-B2 VLA-4 inhibitory drug DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-06 US disclosed
US-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LTD. (IN) 2012-02-16 US disclosed
WO-2009116067-A2 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES SUN PHARMA ADVANCED RESEARCH COMPANY LIMITED (IN) 2009-09-24 WO disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 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-6927294-B1 Nitrogen-containing heterocycles UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-08-09 US disclosed
US-4579582-A REDUCES THE GERMINATION OR EARLY GROWTH OF GRASSES CHEVRON RESEARCH COMPANY (US) 1986-04-01 US disclosed
US-4515618-A PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1985-05-07 US disclosed
US-4429119-A PLANT GROWTH REGULATORS CHEVRON RESEARCH COMPANY (US) 1984-01-31 US disclosed
US-4065616-A ANTIBIOTICS ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI (JA) 1977-12-27 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 (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-20120040897-A1 NOVEL DERIVATIVES OF ACYL CYANOPYRROLIDINES NR1D2, STARD10, NR1D1 HPGD 1669/4885CA2 894/4885CA1 2022/4885
US-20120157437-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HPGD 1752/4885CA2 1554/4885CA1 2306/4885
US-20130065882-A1 VLA-4 inhibitory drug VCAM1, ITGB4, ITGA4 HPGD 1734/4885CA2 1725/4885CA1 2326/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 HPGD 2201/4885CA2 1009/4885CA1 1931/4885

“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.