SCHEMBL333587

SCHEMBL333587

CC(C)Oc1ccc(-n2c(C(=O)O)c(C(=O)O)c3cc(Oc4ncccc4C(N)=O)ccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.43
DRD1 P21728 1/20 0.39
ROCK2 O75116 5/20 0.38
KDM4E B2RXH2 1/20 0.38
PPARG P37231 3/20 0.38
PPARA Q07869 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PTGES O14684 2/20 0.37
MAPK8 P45983 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
BCL2 P10415 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL333449 0.93 ROCK2 (0.42) RAB9ADRD1ROCK2KDM4EMEN1
SCHEMBL5506893 0.88 RAB9A (0.40) RAB9ADRD1ROCK2KDM4EMEN1
SCHEMBL333448 0.88 ROCK2 (0.43) RAB9ADRD1ROCK2KDM4ETDP1
SCHEMBL334068 0.82 MEN1 (0.39) KDM4EMEN1KMT2APTGESMAPK8
SCHEMBL333558 0.81 TP53 (0.43) ROCK2MEN1KMT2APTGES
SCHEMBL333405 0.80 TP53 (0.42) RAB9AROCK2MEN1KMT2APTGES
SCHEMBL334705 0.78 MEN1 (0.39) RAB9AKDM4EPPARGPPARAMEN1
SCHEMBL1407250 0.77 PPARG (0.51) PPARGPPARAPTGES
SCHEMBL333839 0.77 PPARG (0.47) KDM4EPPARGPPARAMEN1KMT2A
SCHEMBL334827 0.76 PTGES (0.55) PPARGPPARAPTGES

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 RAB9A 2586/4885DRD1 2303/4885ROCK2 386/4885

“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.