Sugi Predict

Sugi Predict / Compounds / SCHEMBL1796050

SCHEMBL1796050

SCHEMBL1796050

NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(F)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ SLC29A1 Q99808 4/20 0.64
▸ DNPH1 O43598 1/20 0.63
▸ ADORA3 P0DMS8 2/20 0.61
▸ TP53 P04637 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ PRKAG1 P54619 1/20 0.60
▸ PRKAA1 Q13131 1/20 0.60
▸ PRKAB1 Q9Y478 1/20 0.60
▸ NT5E P21589 1/20 0.60
▸ UBA6 A0AVT1 1/20 0.60
▸ ATG7 O95352 1/20 0.60
▸ UBA7 P41226 1/20 0.60
▸ NAE1 Q13564 1/20 0.60
▸ UBA3 Q8TBC4 1/20 0.60
▸ SAE1 Q9UBE0 1/20 0.60
▸ P2RX3 P56373 1/20 0.59
▸ P2RX2 Q9UBL9 1/20 0.59

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
SCHEMBL1794568 0.92 SLC29A1 (0.64) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL12652413 0.92 SLC29A1 (0.64) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL1796735 0.91 DNPH1 (0.75) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL17889870 0.91 DNPH1 (0.75) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL32661872 0.91 DNPH1 (0.64) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL1799750 0.90 SLC29A1 (0.60) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL1795030 0.88 SLC29A1 (0.64) SLC29A1ADORA3TP53TDP1PRKAG1
SCHEMBL622476 0.86 DNPH1 (0.84) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL32662526 0.86 ADORA3 (0.76) SLC29A1DNPH1ADORA3TP53TDP1
SCHEMBL1796518 0.86 UBA6 (0.59) UBA6ATG7UBA7NAE1UBA3

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-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-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES MILLENNIUM PHARM INC (US) 2016-07-07 — — 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
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 (6 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 SLC29A1 1761/4885DNPH1 113/4885ADORA3 1669/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 SLC29A1 1761/4885DNPH1 113/4885ADORA3 1669/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 SLC29A1 3671/4885DNPH1 336/4885ADORA3 3584/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 SLC29A1 1761/4885DNPH1 113/4885ADORA3 1669/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 SLC29A1 3671/4885DNPH1 336/4885ADORA3 3584/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 SLC29A1 3671/4885DNPH1 336/4885ADORA3 3584/4885

“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.