SCHEMBL334015

SCHEMBL334015

CC(C)Oc1ccc(-n2c(-c3ccc(C(=O)O)cc3)c(C(=O)O)c3cc(Oc4ccc(Cl)c(Cl)c4)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
PTGES O14684 2/20 0.40
KMO O15229 1/20 0.40
MDM2 Q00987 6/20 0.40
BCL2 P10415 5/20 0.40
MCL1 Q07820 5/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 2/20 0.37
PTGER4 P35408 1/20 0.37
HPGD P15428 1/20 0.37
USP14 P54578 1/20 0.37
MGLL Q99685 1/20 0.37
RORC P51449 2/20 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
SCHEMBL333553 0.92 USP14 (0.45) KMT2APTGESMDM2BCL2MCL1
SCHEMBL333886 0.89 RXRA (0.45) KMT2APTGESMDM2BCL2MCL1
SCHEMBL334104 0.88 MDM2 (0.42) KMT2APTGESMDM2BCL2MCL1
SCHEMBL333544 0.85 PTGES (0.45) KMT2APTGESMDM2BCL2MCL1
SCHEMBL27717578 0.83 USP14 (0.45) KMT2ARXRARXRBKDM4EMEN1
SCHEMBL27697434 0.81 PTGER4 (0.44) RXRARXRBKDM4EPTGER4USP14
SCHEMBL333633 0.80 BCL2 (0.44) KMT2AMDM2BCL2MCL1KDM4E
SCHEMBL335545 0.78 MDM2 (0.44) KMT2APTGESMDM2BCL2MCL1
SCHEMBL333981 0.75 MDM2 (0.44) KMT2APTGESMDM2BCL2MCL1
SCHEMBL335133 0.75 PTPN11 (0.42) KMT2APTGESMDM2BCL2MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8097623-B2 1-Aryl-or heteroaryl-3-aryl-or heteroarylindole-2-carboxylic acids or esters: e.g., 5-(4-tert-Butylphenyl)-1,3-bis(4-isopropoxyphenyl)-indole-2-carboxylic acid; inhibition of the activity of microsomal prostaglandin E synthase-1, leukotriene C4 and/or 5-lipoxygenase-activating protein; analgesics BIOLIPOX AB (SE) 2012-01-17 US disclosed
EP-1841735-B1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2011-03-09 EP disclosed
US-20090076004-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2009-03-19 US 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-20090076004-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, AREG KMT2A 3484/4885PTGES 34/4885KMO 256/4885

“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.