SCHEMBL14966979

SCHEMBL14966979

CC(C)(C)OC(=O)c1ccc(Oc2cccc(C#N)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
PARP15 Q460N3 2/20 0.44
PARP10 Q53GL7 2/20 0.44
PARP2 Q9UGN5 2/20 0.44
TNKS O95271 1/20 0.44
PARP14 Q460N5 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL14966320 0.86 PARP15 (0.59) PARP15PARP10PARP2POLBRAB9A
SCHEMBL30150872 0.82 TNKS (0.46) PARP15PARP10PARP2TNKSPARP14
SCHEMBL30807353 0.82 GSK3B (0.51) P4HBGABRA1GABRG2GABRB3GABRA3
SCHEMBL4444228 0.82 GSK3B (0.51) P4HBGABRA1GABRG2GABRB3GABRA3
SCHEMBL14966597 0.80 AKR1C3 (0.60) PRSS1ACRPARP15PARP10PARP2
SCHEMBL11887260 0.80 PARP10 (0.55) PARP10NPC1POLBRAB9AMAPT
SCHEMBL5918245 0.80 HPGD (0.54) PARP15PARP10PARP14RAB9AMAPT
SCHEMBL6631248 0.79 PARP10 (0.71) PRSS1ACRPARP15PARP10PARP2
SCHEMBL2671976 0.78 CA1 (0.50) PARP15PARP10PARP2MAPTGABRA1
SCHEMBL10923033 0.78 PDE4A (0.55) PARP15PARP10PARP2TNKSPARP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-9206128-B2 Modulators of methyl modifying enzymes, compositions and uses thereof CONSTELLATION PHARMACEUTICALS, INC. (US) 2015-12-08 US disclosed
US-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS, INC. 2014-09-25 US disclosed
EP-2780014-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF Constellation Pharmaceuticals, Inc. (US) 2014-09-24 EP disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 WO disclosed
WO-2013075083-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF CONSTELLATION PHARMACEUTICALS (US) 2013-05-23 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-20140288123-A1 MODULATORS OF METHYL MODIFYING ENZYMES, COMPOSITIONS AND USES THEREOF TET1, TET3, EHMT2 PRSS1 2146/4885ACR 4138/4885PARP15 462/4885

“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.