SCHEMBL3580873

SCHEMBL3580873

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(-c4ccc(Cl)cc4Cl)ccc32)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.64
MARS1 P56192 2/20 0.43
CCR2 P41597 3/20 0.41
PRKAB2 O43741 1/20 0.40
PRKAG1 P54619 1/20 0.40
PRKAA2 P54646 1/20 0.40
PRKAA1 Q13131 1/20 0.40
PRKAG3 Q9UGI9 1/20 0.40
PRKAG2 Q9UGJ0 1/20 0.40
PRKAB1 Q9Y478 1/20 0.40
MCL1 Q07820 4/20 0.39
BCL2 P10415 2/20 0.39
MDM2 Q00987 2/20 0.39
CNR1 P21554 3/20 0.39
CNR2 P34972 3/20 0.39
DAGLA Q9Y4D2 2/20 0.38
MCHR1 Q99705 1/20 0.38
SRD5A2 P31213 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3574862 0.89 PTGES (0.77) PTGESCCR2MCL1BCL2MDM2
SCHEMBL3573824 0.85 PTGES (0.72) PTGESCCR2PRKAB2PRKAG1PRKAA2
SCHEMBL3574806 0.85 PTGES (0.85) PTGESMCL1BCL2MDM2ALDH1A1
SCHEMBL4914078 0.82 PTGES (0.61) PTGESCCR2MCL1BCL2MDM2
SCHEMBL3579996 0.81 PTGES (0.78) PTGESCCR2MCL1BCL2MDM2
SCHEMBL4224601 0.80 PTGES (0.58) PTGESCCR2MCL1BCL2MDM2
SCHEMBL4914068 0.79 PTGES (0.60) PTGESCCR2MCL1BCL2MDM2
SCHEMBL4923416 0.79 PTGES (0.60) PTGESCCR2MCL1BCL2MDM2
SCHEMBL3581438 0.78 PTGES (1.00) PTGESMCL1BCL2MDM2ALDH1A1
SCHEMBL4924661 0.78 PTGES (0.67) PTGESMCL1BCL2MDM2SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7705023-B2 Indoles useful in the treatment of inflammation BIOLIPOX AB (SE) 2010-04-27 US disclosed
US-20070287715-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2007-12-13 US disclosed
EP-1778632-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-05-02 EP disclosed
WO-2005123673-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2005-12-29 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-20070287715-A1 Indoles Useful in the Treatment of Inflammation PTGS1, IDO1, PTGES PTGES 3/4885MARS1 1308/4885CCR2 423/4885

“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.