SCHEMBL16347247

SCHEMBL16347247

O=Cc1cc(C(F)(F)F)n(Cc2cccc(Cl)c2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.45
PLA2G1B P04054 1/20 0.45
ATG4B Q9Y4P1 1/20 0.45
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
SLC16A3 O15427 1/20 0.39
MCTS1 Q9ULC4 1/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL18295025 0.80 MAPT (0.47) HTR2CHTR2BMAPTKDM4EALDH1A1
SCHEMBL16347055 0.79 P2RY14 (0.54) L3MBTL1PLA2G1BATG4BMAPTSMN1; SMN2
SCHEMBL16347892 0.75 SMN1; SMN2 (0.47) L3MBTL1PLA2G1BATG4BMAPTKDM4E
SCHEMBL28060131 0.75 MAPT (0.49) L3MBTL1PLA2G1BATG4BMAPTKDM4E
SCHEMBL16347294 0.74 CACNA1G (0.50) L3MBTL1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL16347308 0.73 ADORA2A (0.47) L3MBTL1MAPTKDM4EALDH1A1SMN1; SMN2
SCHEMBL28060213 0.73 L3MBTL1 (0.45) L3MBTL1PLA2G1BATG4BHTR2CHTR2B
SCHEMBL18295112 0.72 MEN1 (0.44) MAPTALDH1A1SMN1; SMN2TP53POLB
SCHEMBL28592282 0.71 CNR1 (0.33)
SCHEMBL16347182 0.70 XDH (0.43) MAPTSMN1; SMN2TP53POLBIDO1

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 9 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
CN-105492429-A Heteroaryl inhibitors of SUMO activating enzyme MILLENNIUM PHARM INC 2016-04-13 CN 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 L3MBTL1 3702/4885PLA2G1B 2431/4885ATG4B 770/4885

“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.