SCHEMBL16347182

SCHEMBL16347182

CC(C)(O)c1cc(C=O)nn1Cc1cccc(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
GPR55 Q9Y2T6 1/20 0.40
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
CYP19A1 P11511 3/20 0.38
POLB P06746 1/20 0.37
CYP11B1 P15538 1/20 0.36
ADRA2C P18825 1/20 0.36
CYP11B2 P19099 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.36
RIPK1 Q13546 1/20 0.36
HDAC1 Q13547 2/20 0.35
HDAC7 Q8WUI4 2/20 0.35
HDAC3 O15379 1/20 0.35

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 0.90 MEN1 (0.44) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL16347299 0.84 MEN1 (0.39) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL16347240 0.82 XDH (0.50) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL16344890 0.81 MEN1 (0.49) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL16388008 0.76 MEN1 (0.42) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL16347390 0.75 XDH (0.41) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL16348007 0.75 MEN1 (0.38) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL16388293 0.74 IDO1 (0.41) XDHPTGDR2MEN1KMT2AGPR55
SCHEMBL29700069 0.72 PTGER1 (0.51) PTGDR2MEN1KMT2ACYP19A1TP53
SCHEMBL16347241 0.70 HDAC1 (0.50) XDHPTGDR2MEN1KMT2AGPR55

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 XDH 481/4885PTGDR2 3840/4885MEN1 4646/4885

“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.