SCHEMBL10328616

SCHEMBL10328616

CC(C)c1ccc(COc2coc(C(=O)O)cc2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.52
RXRB P28702 1/20 0.52
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
PDK2 Q15119 1/20 0.46
MRGPRX4 Q96LA9 3/20 0.45
PTGER4 P35408 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAOA P21397 1/20 0.40
ACHE P22303 1/20 0.40
MAOB P27338 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL10328650 0.86 RAB9A (0.50) RXRARXRBNPC1RAB9ACYP1A2
SCHEMBL10328542 0.86 MRGPRX4 (0.50) RXRARXRBNPC1RAB9ACYP1A2
SCHEMBL3334602 0.86 NPC1 (0.67) RXRARXRBNPC1RAB9ACYP1A2
SCHEMBL10328621 0.86 NPC1 (0.53) RXRARXRBNPC1RAB9ACYP1A2
SCHEMBL1037140 0.85 PTGER4 (0.52) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL9356623 0.84 RAB9A (0.52) RXRANPC1RAB9ACYP1A2CYP2C19
SCHEMBL17112794 0.84 NPC1 (0.51) RXRARXRBNPC1RAB9ACYP1A2
SCHEMBL10328594 0.84 MEN1 (0.50) NPC1RAB9ACYP1A2CYP2C19RECQL
SCHEMBL10328673 0.81 MRGPRX4 (0.48) RXRARXRBNPC1RAB9ACYP1A2
SCHEMBL10328539 0.81 PTGER4 (0.49) RXRARXRBNPC1RAB9ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2019-05-07 US disclosed
EP-3129376-B1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2018-12-26 EP disclosed
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2017-06-22 US disclosed
EP-3129376-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2017-02-15 EP disclosed
WO-2015144799-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2015-10-01 WO disclosed
US-8748483-B2 Use of substituted pyranone acid derivatives for the treatment of metabolic syndrome SANOFI (FR) 2014-06-10 US disclosed
US-8748483-B2 Use of substituted pyranone acid derivatives for the treatment of metabolic syndrome SANOFI (FR) 2014-06-10 US disclosed
EP-2120923-B1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI SA (FR) 2012-07-18 EP disclosed
US-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
US-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
WO-2008086949-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME SANOFI-AVENTIS (FR) 2008-07-24 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 (3 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-20100144862-A1 USE OF SUBSTITUTED PYRANONE ACID DERIVATIVES FOR THE TREATMENT OF METABOLIC SYNDROME PC, PCK1, PDK4 RXRA 701/4885RXRB 681/4885NPC1 1500/4885
US-10280170-B2 Substituted 4,5,6,7-tetrahydro-pyrazolo[1,5-a]pyrazine derivatives and 5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine derivatives as Ros1 inhibitors ROS1, NOX1, NOX5 RXRA 2981/4885RXRB 3067/4885NPC1 835/4885
US-20170174690-A1 SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS ROS1, NOX1, NOX5 RXRA 2981/4885RXRB 3067/4885NPC1 835/4885

“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.