Sugi Predict

Sugi Predict / Compounds / SCHEMBL1799208

SCHEMBL1799208

SCHEMBL1799208

COc1ccccc1CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](O)[C@H]1O

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PAX8 Q06710 1/20 0.62
▸ ADORA3 P0DMS8 3/20 0.62
▸ ADORA2A P29274 2/20 0.62
▸ ADORA1 P30542 2/20 0.62
▸ TSHR P16473 1/20 0.61
▸ NFKB1 P19838 1/20 0.61
▸ STAT6 P42226 1/20 0.61
▸ GMNN O75496 1/20 0.61
▸ BLM P54132 1/20 0.61
▸ PMP22 Q01453 1/20 0.61
▸ UBA6 A0AVT1 1/20 0.61
▸ ATG7 O95352 1/20 0.61
▸ UBA7 P41226 1/20 0.61
▸ NAE1 Q13564 1/20 0.61
▸ UBA3 Q8TBC4 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ NT5E P21589 1/20 0.58
▸ DNPH1 O43598 1/20 0.58

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
SCHEMBL1797537 0.88 PAX8 (0.61) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL639746 0.88 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL17825912 0.88 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL639745 0.88 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL17824470 0.88 ADORA3 (0.79) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL14688927 0.87 DNPH1 (0.77) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL1796349 0.87 PAX8 (0.62) PAX8ADORA3ADORA2AADORA1UBA6
SCHEMBL30411543 0.87 ADORA3 (0.77) PAX8ADORA3ADORA2AADORA1TSHR
SCHEMBL1796735 0.87 DNPH1 (0.75) ADORA3UBA6ATG7UBA7NAE1
SCHEMBL17889870 0.87 DNPH1 (0.75) ADORA3UBA6ATG7UBA7NAE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-20210070798-A1 Inhibitors of E1 activating enzymes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-03-11 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. 2018-03-29 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENIUM PHARMACEUTICALS, INC. 2017-03-16 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — US disclosed
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-12-19 — — US disclosed
EP-1848718-B1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARM INC (US) 2012-08-01 — — EP disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-06-09 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
US-7951810-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-05-31 — — US disclosed
EP-1848718-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-31 — — EP disclosed
US-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — US disclosed
WO-2006084281-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-10 — — WO 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 (7 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-20180086785-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PAX8 2905/4885ADORA3 1669/4885ADORA2A 1750/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PAX8 2905/4885ADORA3 1669/4885ADORA2A 1750/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 PAX8 4188/4885ADORA3 3584/4885ADORA2A 3026/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 PAX8 2905/4885ADORA3 1669/4885ADORA2A 1750/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PAX8 4188/4885ADORA3 3584/4885ADORA2A 3026/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 PAX8 2660/4885ADORA3 24/4885ADORA2A 185/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 PAX8 4188/4885ADORA3 3584/4885ADORA2A 3026/4885

“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.