SCHEMBL16347284

SCHEMBL16347284

COC(=O)c1ccn(Cc2cccc(OC(F)(F)F)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.52
MRGPRX4 Q96LA9 2/20 0.51
KCNN4 O15554 1/20 0.47
MAPK14 Q16539 1/20 0.46
CHRM5 P08912 1/20 0.45
AMPD2 Q01433 1/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
FEN1 P39748 1/20 0.43
HCRTR1 O43613 3/20 0.43
HCRTR2 O43614 3/20 0.43
PPARG P37231 1/20 0.43
GPR139 Q6DWJ6 1/20 0.42
CETP P11597 1/20 0.42
GLS O94925 1/20 0.42
CHRM3 P20309 1/20 0.42
DRD2 P14416 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
SCHEMBL18295102 0.79 SCD (0.47) SCDKCNN4CYP19A1CYP11B1CYP11B2
SCHEMBL10590280 0.79 TSHR (0.50)
SCHEMBL16347145 0.79 SCD (0.46) SCDKCNN4MAPK14CHRM5AMPD2
SCHEMBL19069895 0.78 NTRK1 (0.49) SCDCYP19A1CYP11B1CYP11B2ROCK2
SCHEMBL16347190 0.77 KDM5A (0.47) SCDCYP19A1CYP11B1CYP11B2ROCK2
SCHEMBL16347292 0.77 CHRM2 (0.46) SCDKCNN4MAPK14CHRM5AMPD2
SCHEMBL16388121 0.76 LPO (0.52) CYP19A1
SCHEMBL25128953 0.75 NPY1R (0.43) SCD
SCHEMBL25402460 0.75 MRGPRX4 (0.47) SCDMRGPRX4KCNN4MAPK14ROCK2
SCHEMBL7055657 0.74 MRGPRX4 (0.63) MRGPRX4GPR139

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 SCD 122/4885MRGPRX4 2896/4885KCNN4 4863/4885

“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.