SCHEMBL193814

SCHEMBL193814

CC1(C)CC(=NO)c2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.41
NOTUM Q6P988 1/20 0.40
TYMS P04818 1/20 0.40
HTT P42858 1/20 0.39
HPGD P15428 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
FPR2 P25090 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 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
SCHEMBL193813 1.00 RAD52 (0.41) RAD52NOTUMTYMSHTTHPGD
SCHEMBL30303023 1.00 RAD52 (0.41) RAD52NOTUMTYMSHTTHPGD
SCHEMBL4970172 0.81 HPGD (0.44) RAD52NOTUMTYMSHPGDL3MBTL1
SCHEMBL1119857 0.81 HPGD (0.44) RAD52NOTUMTYMSHPGDL3MBTL1
SCHEMBL8525588 0.81 HPGD (0.44) RAD52NOTUMTYMSHPGDL3MBTL1
SCHEMBL11604568 0.81 TYMS (0.43) NOTUMTYMSALDH1A1FPR2KMT2A
SCHEMBL11604564 0.81 TYMS (0.43) NOTUMTYMSALDH1A1FPR2KMT2A
SCHEMBL5114381 0.80 PGR (0.48) HTTL3MBTL1NPSR1KMT2AMEN1
SCHEMBL5114379 0.80 PGR (0.48) HTTL3MBTL1NPSR1KMT2AMEN1
SCHEMBL5118544 0.77 PDK2 (0.46) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190255052-A1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. 2017-05-18 US disclosed
EP-2402334-B1 Inhibitors of E1 Activating Enzymes MILLENNIUM PHARM INC (US) 2016-06-29 EP disclosed
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES MILLENNIUM PHARM INC (US) 2013-10-31 US disclosed
CN-103288835-A Inhibitors of E1 activating enzyme MILLENNIUM PHARM INC 2013-09-11 CN disclosed
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
US-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-10-11 US disclosed
EP-1989206-B1 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2012-07-04 EP disclosed
US-8207177-B2 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
EP-2402334-A1 Inhibitors of E1 Activating Enzymes Millennium Pharmaceuticals, Inc. (US) 2012-01-04 EP disclosed
CN-101379061-A E1 activating enzyme inhibitor MILLENNIUM PHARM INC (US) 2009-03-04 CN disclosed
EP-1989206-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2008-11-12 EP disclosed
US-20070191293-A1 Inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 US disclosed
WO-2007092213-A2 INHIBITORS OF E1 ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-08-16 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-20120258977-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAD52 3422/4885NOTUM 1895/4885TYMS 326/4885
US-20120258927-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAD52 3422/4885NOTUM 1895/4885TYMS 326/4885
US-20170136024-A1 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAD52 3422/4885NOTUM 1895/4885TYMS 326/4885
US-20190255052-A1 Inhibitors of E1 Activating Enzymes ECE1, RNASE1, RCE1 RAD52 3422/4885NOTUM 1895/4885TYMS 326/4885
US-20130165457-A9 INHIBITORS OF E1 ACTIVATING ENZYMES ECE1, RNASE1, RCE1 RAD52 3422/4885NOTUM 1895/4885TYMS 326/4885
US-20130289037-A1 INHIBITORS OF E1 ACTIVTING ENZYMES RNASE1, ECE1, CES1 RAD52 3390/4885NOTUM 1689/4885TYMS 275/4885
US-20070191293-A1 Inhibitors of E1 activating enzymes ECE1, RNASE1, RCE1 RAD52 3422/4885NOTUM 1895/4885TYMS 326/4885

“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.