SCHEMBL19086309

SCHEMBL19086309

CCOC(=O)COc1nccc(-c2ccccc2)c1C#N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SQOR Q9Y6N5 1/20 0.71
KDM4E B2RXH2 13/20 0.61
MAPT P10636 5/20 0.61
POLB P06746 3/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
ATM Q13315 1/20 0.61
ALDH1A1 P00352 6/20 0.54
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.51
CRHBP P24387 1/20 0.51
RAB9A P51151 1/20 0.51
CRHR2 Q13324 1/20 0.51
HPGD P15428 2/20 0.49
TP53 P04637 1/20 0.49
HSD17B10 Q99714 1/20 0.49
GLA P06280 1/20 0.48

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
SCHEMBL19086321 0.84 MEN1 (0.61) SQORKDM4EMAPTPOLBL3MBTL1
SCHEMBL22208286 0.83 SQOR (1.00) SQORKDM4EMAPTPOLBL3MBTL1
SCHEMBL3076231 0.83 ALDH1A1 (0.66) SQORKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL30786742 0.73 ALDH1A1 (0.49) SQORKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL7873889 0.72 PTPN1 (0.61) SQORKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL17865150 0.71 ALDH1A1 (0.50) SQORKDM4EMAPTPOLBL3MBTL1
SCHEMBL17971409 0.71 ALDH1A1 (0.59) SQORKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL23424898 0.70 ALDH1A1 (0.48) SQORKDM4EMAPTALDH1A1CYP1A2
SCHEMBL11193270 0.70 MEN1 (0.52) SQORKDM4EMAPTL3MBTL1ALDH1A1
SCHEMBL17434668 0.69 ALDH1A1 (0.50) SQORKDM4EMAPTPOLBL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
US-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2019-01-17 US disclosed
WO-2017118762-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION RIJKSUNIVERSITEIT GRONINGEN (NL) 2017-07-13 WO disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP disclosed
EP-3190103-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION Rijksuniversiteit Groningen (NL) 2017-07-12 EP 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-20190016681-A1 INHIBITORS OF THE PD-1/PD-L1 PROTEIN/PROTEIN INTERACTION PDCD1, CD274, PDCD1LG2 SQOR 3201/4885KDM4E 2556/4885MAPT 3038/4885

“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.