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Sugi Predict / Compounds / SCHEMBL1795458

SCHEMBL1795458

SCHEMBL1795458

NS(=O)(=O)OC[C@H]1O[C@@H](n2cnc3c(NC(=O)Nc4ccccc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ P2RY12 Q9H244 3/20 0.76
▸ P2RY2 P41231 1/20 0.72
▸ P2RY1 P47900 1/20 0.72
▸ P2RY6 Q15077 1/20 0.72
▸ BMPR1B O00238 1/20 0.70
▸ UBA6 A0AVT1 1/20 0.64
▸ ATG7 O95352 1/20 0.64
▸ UBA7 P41226 1/20 0.64
▸ NAE1 Q13564 1/20 0.64
▸ UBA3 Q8TBC4 1/20 0.64
▸ SAE1 Q9UBE0 1/20 0.64
▸ DNPH1 O43598 1/20 0.61
▸ ADORA3 P0DMS8 1/20 0.58
▸ ADORA2A P29274 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ LMNA P02545 2/20 0.58
▸ ALDH1A1 P00352 1/20 0.58
▸ GLA P06280 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ SMN1; SMN2 Q16637 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
SCHEMBL32662019 0.90 DNPH1 (0.75) P2RY12UBA6ATG7UBA7NAE1
SCHEMBL1797884 0.89 UBA6 (0.65) P2RY12P2RY2P2RY1P2RY6UBA6
SCHEMBL1756997 0.87 BMPR1B (0.77) P2RY12P2RY2P2RY1P2RY6BMPR1B
SCHEMBL23080279 0.86 P2RY12 (0.59) P2RY12P2RY2P2RY1P2RY6BMPR1B
SCHEMBL13614771 0.85 P2RY12 (0.88) P2RY12P2RY2P2RY1P2RY6BMPR1B
SCHEMBL1796735 0.84 DNPH1 (0.75) UBA6ATG7UBA7NAE1UBA3
SCHEMBL1797167 0.84 UBA6 (0.66) P2RY12UBA6ATG7UBA7NAE1
SCHEMBL17889870 0.84 DNPH1 (0.75) UBA6ATG7UBA7NAE1UBA3
SCHEMBL13614772 0.84 P2RY12 (0.86) P2RY12P2RY2P2RY1P2RY6BMPR1B
SCHEMBL13614773 0.84 P2RY12 (0.82) P2RY12P2RY2P2RY1P2RY6BMPR1B

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 23 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-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-11 — — 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
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-20060189636-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-08-24 — — 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 (8 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 P2RY12 1981/4885P2RY2 1007/4885P2RY1 426/4885
US-20170073367-A9 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 P2RY12 1981/4885P2RY2 1007/4885P2RY1 426/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 P2RY12 4362/4885P2RY2 3908/4885P2RY1 2716/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 P2RY12 571/4885P2RY2 116/4885P2RY1 106/4885
US-20160194348-A1 SUBSTITUTED PYRROLO[2,3-D]PYRIMIDINES TYMP, TYMS, PPA1 P2RY12 1981/4885P2RY2 1007/4885P2RY1 426/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 P2RY12 4362/4885P2RY2 3908/4885P2RY1 2716/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 P2RY12 571/4885P2RY2 116/4885P2RY1 106/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 P2RY12 4362/4885P2RY2 3908/4885P2RY1 2716/4885

“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.