SCHEMBL4101191

SCHEMBL4101191

O=C1COCC1c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 9/20 0.44
TSHR P16473 2/20 0.41
CTRC Q99895 1/20 0.40
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
KMT2A Q03164 1/20 0.39
CTRB1 P17538 1/20 0.38
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL28826385 1.00 CYP19A1 (0.44) CYP19A1TSHRCTRCDDB1CRBN
SCHEMBL513596 0.80 MT-CO2 (0.44) CYP19A1TSHRCTRCDDB1CRBN
SCHEMBL25187637 0.78 KDM1A (0.42) CYP19A1TSHRKMT2AMAPT
SCHEMBL876024 0.76 CYP1A2 (0.48) CYP19A1TSHRGAAMAPT
SCHEMBL318633 0.75 CYP19A1 (0.54) CYP19A1DDB1CRBNKMT2A
SCHEMBL15657030 0.72 KMT2A (0.52) CYP19A1TSHRCTRCDDB1CRBN
SCHEMBL513059 0.72 NR3C1 (0.42) CYP19A1DDB1CRBN
SCHEMBL1225599 0.70 DDB1 (0.36) CYP19A1CTRCDDB1CRBN
SCHEMBL511808 0.70 DDB1 (0.36) CYP19A1TSHRCTRCDDB1CRBN
SCHEMBL577209 0.70 CYP19A1 (0.56) CYP19A1TSHRCTRCCFTRGOPC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951180-B1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed
US-9540377-B2 2,6,7,8 substituted purines as HDM2 inhibitors MERCK SHARP & DOHME CORP. (US) 2017-01-10 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-9271967-B2 1,2,4-triazolo[4,3-a]pyridine derivatives and their use as positive allosteric modulators of mGluR2 receptors Janssen Pharmaceuticals, Inc. (US) 2016-03-01 US disclosed
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2951180-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-09 EP disclosed
EP-2649069-B1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS JANSSEN PHARMACEUTICALS INC (US) 2015-08-26 EP disclosed
WO-2014120748-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-08-07 WO disclosed
WO-2012062750-A1 1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO disclosed
US-20090221643-A1 4-PHENYL-3-(2-PROPYLSULFONYLAMINO) TETRAHYDROFURAN DERIVATIVES WHICH POTENTIATE GLUTAMATE RECEPTORS AND ARE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221643-A1 4-PHENYL-3-(2-PROPYLSULFONYLAMINO) TETRAHYDROFURAN DERIVATIVES WHICH POTENTIATE GLUTAMATE RECEPTORS AND ARE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
US-20090221643-A1 4-PHENYL-3-(2-PROPYLSULFONYLAMINO) TETRAHYDROFURAN DERIVATIVES WHICH POTENTIATE GLUTAMATE RECEPTORS AND ARE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2009-09-03 US disclosed
EP-1981865-A1 4-PHENYL-3-(2-PROPYLSULFONYLAMINO) TETRAHYDROFURAN DERIVATIVES WHICH POTENTIATE GLUTAMATE RECEPTORS AND ARE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2008-10-22 EP disclosed
WO-2007090840-A1 4-PHENYL-3-(2-PROPYLSULFONYLAMINO) TETRAHYDROFURAN DERIVATIVES WHICH POTENTIATE GLUTAMATE RECEPTORS AND ARE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2007-08-16 WO disclosed
WO-2007090840-A1 4-PHENYL-3-(2-PROPYLSULFONYLAMINO) TETRAHYDROFURAN DERIVATIVES WHICH POTENTIATE GLUTAMATE RECEPTORS AND ARE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA GLAXO GROUP LIMITED (GB) 2007-08-16 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 (2 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-20090221643-A1 4-PHENYL-3-(2-PROPYLSULFONYLAMINO) TETRAHYDROFURAN DERIVATIVES WHICH POTENTIATE GLUTAMATE RECEPTORS AND ARE USEFUL IN THE TREATMENT OF SCHIZOPHRENIA GRIN2C, GRIN1, OXER1 CYP19A1 4026/4885TSHR 524/4885CTRC 1305/4885
US-20150353553-A1 2,6,7,8 SUBSTITUTED PURINES AS HDM2 INHIBITORS DDX21, DPYD, NSUN2 CYP19A1 4523/4885TSHR 4844/4885CTRC 4546/4885

“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.