Sugi Predict

Sugi Predict / Compounds / SCHEMBL15569868

SCHEMBL15569868

SCHEMBL15569868

COc1ccc(CC2C(=O)OC(C)(C)OC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 1.00
▸ GLA P06280 1/20 1.00
▸ TLR9 Q9NR96 1/20 0.48
▸ CES2 O00748 2/20 0.44
▸ EDNRA P25101 1/20 0.41
▸ CMA1 P23946 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ F2RL1 P55085 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL16374867 0.84 GLA (0.73) NPSR1GLAALDH1A1L3MBTL1KMT2A
SCHEMBL3080438 0.84 NPSR1 (0.73) NPSR1GLATLR9CMA1KMT2A
SCHEMBL8958982 0.83 GLA (0.71) NPSR1GLATLR9CES2ALDH1A1
SCHEMBL12746561 0.82 GLA (0.69) NPSR1GLAALDH1A1
SCHEMBL8247280 0.82 GLA (0.69) NPSR1GLAALDH1A1L3MBTL1KMT2A
SCHEMBL9193771 0.81 GLA (0.69) NPSR1GLACES2ALDH1A1L3MBTL1
SCHEMBL3092054 0.80 GLA (0.67) NPSR1GLAALDH1A1KMT2ASMN1; SMN2
SCHEMBL15570301 0.80 GLA (0.67) NPSR1GLACES2ALDH1A1L3MBTL1
SCHEMBL15647719 0.80 GLA (0.67) NPSR1GLAALDH1A1KMT2AMEN1
SCHEMBL16460894 0.80 GLA (0.67) NPSR1GLACES2ALDH1A1KMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 — — US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 — — US disclosed
US-9890147-B2 2,3-benzodiazepines BAYER PHARMA AKTIENGESELLSHAFT (DE) 2018-02-13 — — US disclosed
EP-2909192-B1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2017-05-17 — — EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 — — EP disclosed
EP-2885286-B1 2,3-BENZODIAZEPINES Bayer Pharma AG (DE) 2017-03-22 — — EP disclosed
US-9598384-B2 3-(2-amino-ethyl)-alkylidene)-thiazolidine-2,4-dione and 1-(2-amino-ethyl)-alkylidene-1,3-dihydro-indol-2-one derivatives as selective sphingosine kinase 2 inhibitors VIRGINIA COMMONWEALTH UNIVERSITY (US) 2017-03-21 — — US disclosed
US-20160159758-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS UNIV VIRGINIA COMMONWEALTH (US) 2016-06-09 — — US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 — — US disclosed
US-9290476-B2 Methylene linked quinolinyl modulators of RORγt JANSSEN PHARMACEUTICA NV (BE) 2016-03-22 — — US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 — — US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 — — US disclosed
US-20150203483-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-07-23 — — US disclosed
EP-2885286-A1 2,3-BENZODIAZEPINES Bayer Pharma Aktiengesellschaft (DE) 2015-06-24 — — EP disclosed
US-20150005353-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS VIRGINIA COMMONWEALTH UNIVERSITY (US) 2015-01-01 — — US disclosed
WO-2014062658-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF ROR-GAMMA-T JANSSEN PHARMACEUTICA NV (BE) 2014-04-24 — — WO disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 — — US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 — — US disclosed
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt JANSSEN PHARMACEUTICA NV (BE) 2014-04-17 — — US disclosed
WO-2014026997-A1 2,3-BENZODIAZEPINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-20 — — 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 (4 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-20160159758-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS SPHK2, SPHK1, S1PR2 NPSR1 2691/4885GLA 3291/4885TLR9 2887/4885
US-20140107094-A1 METHYLENE LINKED QUINOLINYL MODULATORS OF RORyt RORC, RORA, RORB NPSR1 258/4885GLA 2334/4885TLR9 116/4885
US-20150005353-A1 3-(2-AMINO-ETHYL)-ALKYLIDENE)-THIAZOLIDINE-2,4-DIONE AND 1-(2-AMINO-ETHYL)-ALKYLIDENE-1,3-DIHYDRO-INDOL-2-ONE DERIVATIVES AS SELECTIVE SPHINGOSINE KINASE 2 INHIBITORS SPHK2, SPHK1, S1PR2 NPSR1 2691/4885GLA 3291/4885TLR9 2887/4885
US-20150203483-A1 2,3-BENZODIAZEPINES BRD4, BET1, BRDT NPSR1 1644/4885GLA 3903/4885TLR9 2520/4885

“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.