SCHEMBL16347299

SCHEMBL16347299

CC(C)(O[Si](C)(C)C)c1cc(C=O)nn1Cc1cccc(Br)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
XDH P47989 1/20 0.36
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
CYP19A1 P11511 3/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
CYP11B1 P15538 1/20 0.34
ADRA2C P18825 1/20 0.34
CYP11B2 P19099 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 1/20 0.33
RIPK1 Q13546 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
SCHEMBL18295112 0.86 MEN1 (0.44) MEN1KMT2APTGDR2GPR55XDH
SCHEMBL16347182 0.84 XDH (0.43) MEN1KMT2APTGDR2GPR55XDH
SCHEMBL16347136 0.79 CYP11B1 (0.41) MEN1KMT2APTGDR2GPR55XDH
SCHEMBL16344890 0.77 MEN1 (0.49) MEN1KMT2APTGDR2GPR55XDH
SCHEMBL16348007 0.76 MEN1 (0.38) MEN1KMT2APTGDR2GPR55XDH
SCHEMBL16388008 0.74 MEN1 (0.42) MEN1KMT2APTGDR2GPR55XDH
SCHEMBL16388293 0.73 IDO1 (0.41) MEN1KMT2APTGDR2GPR55XDH
SCHEMBL16347415 0.72 SAE1 (0.36) MEN1KMT2APTGDR2GPR55CYP19A1
SCHEMBL16347454 0.70 CYP19A1 (0.32) MEN1KMT2APTGDR2XDHCYP19A1
SCHEMBL16347378 0.69 MEN1 (0.39) MEN1KMT2APTGDR2GPR55XDH

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
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-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 MEN1 4646/4885KMT2A 888/4885PTGDR2 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.