SCHEMBL333448

SCHEMBL333448

COC(=O)c1c(C(=O)OC)n(-c2ccc(OC(C)C)cc2)c2ccc(Oc3ncccc3C(N)=O)cc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 10/20 0.43
RAB9A P51151 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 2/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4E B2RXH2 1/20 0.38
DRD1 P21728 1/20 0.38
BRD4 O60885 1/20 0.37
BRPF1 P55201 1/20 0.37
TYK2 P29597 1/20 0.35
CSF1R P07333 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 0.95 ROCK2 (0.42) ROCK2RAB9ATDP1HTTKDM4E
SCHEMBL333587 0.88 RAB9A (0.43) ROCK2RAB9ATDP1KDM4EDRD1
SCHEMBL5506893 0.82 RAB9A (0.40) ROCK2RAB9AKDM4EDRD1
SCHEMBL333558 0.80 TP53 (0.43) ROCK2MAPTSMN1; SMN2HSD17B10
SCHEMBL333405 0.80 TP53 (0.42) ROCK2RAB9AMAPTSMN1; SMN2HSD17B10
SCHEMBL1407296 0.79 MAPT (0.40) MAPTMAPK1HTTPKMHPGD
SCHEMBL333969 0.78 MAPT (0.40) MAPTMAPK1HTTPKMHPGD
SCHEMBL333957 0.78 MAPT (0.42) MAPTMAPK1HTTPKMHPGD
SCHEMBL333737 0.78 PPARG (0.45) MAPTMAPK1HTTPKMHPGD
SCHEMBL334112 0.77 MAPT (0.61) MAPTMAPK1HTTPKMHPGD

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 ROCK2 386/4885RAB9A 2586/4885TDP1 1742/4885

“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.