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Sugi Predict / Compounds / SCHEMBL1799672

SCHEMBL1799672

SCHEMBL1799672

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(CC(C)C)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.54
▸ P2RX3 P56373 4/20 0.53
▸ P2RX1 P51575 3/20 0.53
▸ P2RX4 Q99571 3/20 0.53
▸ PI4KA P42356 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ PI4K2A Q9BTU6 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ AMD1 P17707 2/20 0.43
▸ PRKAB2 O43741 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PRKAG3 Q9UGI9 1/20 0.42
▸ PRKAG2 Q9UGJ0 1/20 0.42
▸ PRKAB1 Q9Y478 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ TP53 P04637 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
SCHEMBL16579246 0.86 RXFP1 (0.58) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL3407241 0.85 PI4KA (0.73) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL1798145 0.85 RXFP1 (0.57) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL1796855 0.85 RXFP1 (0.57) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL5317973 0.85 RXFP1 (0.57) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL1798271 0.85 PI4KA (0.73) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL30544933 0.85 PI4KA (0.73) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL1797935 0.84 RXFP1 (0.51) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL1796686 0.84 RXFP1 (0.52) RXFP1P2RX3P2RX1P2RX4PI4KA
SCHEMBL1795772 0.83 RXFP1 (0.54) RXFP1P2RX3P2RX1P2RX4PI4KA

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 8 patents. 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-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-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 (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 RXFP1 3880/4885P2RX3 883/4885P2RX1 481/4885
US-20110136834-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RXFP1 3167/4885P2RX3 3485/4885P2RX1 2368/4885
US-20140256668-A9 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 RXFP1 1137/4885P2RX3 28/4885P2RX1 92/4885
US-20210070798-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RXFP1 3167/4885P2RX3 3485/4885P2RX1 2368/4885
US-20130338094-A1 SUBSTITUTED PYRROLO]2,3-D]PYRIMIDINES DPYD, CCND3, POLD3 RXFP1 1137/4885P2RX3 28/4885P2RX1 92/4885
US-20060189636-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RXFP1 3167/4885P2RX3 3485/4885P2RX1 2368/4885

“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.