SCHEMBL16347172

SCHEMBL16347172

CCOC(=O)c1cc(CO)n(Cc2cccc(Br)c2)n1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
HPGD P15428 2/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
LMNA P02545 1/20 0.44
XDH P47989 1/20 0.44
POLB P06746 1/20 0.43
PTGER1 P34995 1/20 0.43
ELANE P08246 1/20 0.43
CYP1A2 P05177 1/20 0.42
MAPK1 P28482 1/20 0.41
FAAH O00519 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL16347525 0.89 CYP19A1 (0.53) CYP19A1L3MBTL1PTGDR2SMN1; SMN2HPGD
SCHEMBL29699784 0.87 CYP19A1 (0.57) CYP19A1L3MBTL1PTGDR2SMN1; SMN2HPGD
SCHEMBL18295109 0.84 XDH (0.48) CYP19A1PTGDR2KMT2AMEN1XDH
SCHEMBL16347297 0.84 CYP19A1 (0.48) CYP19A1L3MBTL1PTGDR2SMN1; SMN2HPGD
SCHEMBL29699825 0.83 CYP19A1 (0.53) CYP19A1L3MBTL1PTGDR2SMN1; SMN2HPGD
SCHEMBL29699741 0.83 CYP19A1 (0.53) CYP19A1L3MBTL1PTGDR2SMN1; SMN2HPGD
SCHEMBL29699923 0.83 CYP19A1 (0.64) CYP19A1L3MBTL1PTGDR2SMN1; SMN2LMNA
SCHEMBL16347393 0.81 CYP19A1 (0.55) CYP19A1L3MBTL1PTGDR2SMN1; SMN2HPGD
SCHEMBL22412886 0.79 MAPT (0.53) SMN1; SMN2HPGDPOLBCYP1A2MAPK1
SCHEMBL29699794 0.78 HPGD (0.53) CYP19A1L3MBTL1PTGDR2SMN1; SMN2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 EP disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 WO disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 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 (1 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-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME SAE1, SUMO2, SUMO1 CYP19A1 1065/4885L3MBTL1 3702/4885PTGDR2 3840/4885

“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.