SCHEMBL4604936

SCHEMBL4604936

CCOC(=O)CCc1cn(Cc2ccc(Br)s2)c2ccc(OC)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.45
MTNR1B P49286 3/20 0.45
HDAC3 O15379 3/20 0.44
HDAC6 Q9UBN7 3/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
PLA2G2A P14555 2/20 0.43
HTR6 P50406 3/20 0.43
PPARG P37231 1/20 0.41
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
TSHR P16473 1/20 0.40
TBXAS1 P24557 1/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
PDE4B Q07343 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
SCHEMBL14572432 0.80 PPARG (0.55) HTR6PPARGPPARDPPARA
SCHEMBL8291691 0.76 MTNR1A (0.64) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL5659640 0.73 PPARD (0.49) PPARGPPARDPPARAMAPTMEN1
SCHEMBL16068372 0.72 HDAC3 (0.68) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL3036311 0.72 MTNR1A (0.74) MTNR1AMTNR1BHDAC3HDAC6HDAC4
SCHEMBL7962690 0.71 PLA2G2A (0.74) MTNR1AMTNR1BPLA2G2AHTR6PPARG
SCHEMBL432804 0.71 CYP4F2 (0.50) TSHRMAPTPOLBALDH1A1ALOX15
SCHEMBL9035569 0.70 CYP4F2 (0.49) HDAC1TSHRMAPTPOLBALDH1A1
SCHEMBL4604700 0.69 PPARG (0.55) HTR6PPARGPPARDPPARA
SCHEMBL3019384 0.69 MTNR1A (0.73) MTNR1AMTNR1BHDAC3HDAC6HDAC4

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
EP-1943245-A2 1,3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2008-07-16 EP disclosed
US-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PLEXXIKON INC 2007-03-29 US disclosed
WO-2007030559-A2 1, 3-DISUBSTITUTED INDOLE DERIVATIVES FOR USE AS PPAR MODULATORS PLEXXIKON, INC. (US) 2007-03-15 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-20070072904-A1 1-arylsulfone-substituted indole carboxylic acids or amides; peroxisome proliferator-activated receptor PPAR modulators; obesity, diabetes, cardiovascular disorders PPARG, PPARA, PPARD MTNR1A 81/4885MTNR1B 89/4885HDAC3 34/4885

“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.