SCHEMBL4037157

SCHEMBL4037157

Cc1ccc2c(c1)c(-c1nc(C(=O)O)co1)cn2CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ICMT O60725 5/20 0.41
NR1D1 P20393 1/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
PDE4B Q07343 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ADRB2 P07550 2/20 0.34
ADRB1 P08588 2/20 0.34
ADRB3 P13945 2/20 0.34
PTGER1 P34995 1/20 0.34
TBXAS1 P24557 1/20 0.33

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
SCHEMBL3595139 0.88 PTGER1 (0.41) ICMTPDE4BADRB2ADRB1ADRB3
SCHEMBL4037595 0.88 ICMT (0.39) ICMT
SCHEMBL4348472 0.84 PTGS2 (0.39) ICMTIRAK4HDAC1HDAC8HDAC6
SCHEMBL3594920 0.80 PTGER1 (0.41) ICMTIRAK4PDE4BHDAC1HDAC8
SCHEMBL3592829 0.79 ICMT (0.41) ICMTIRAK4PDE4BPTGER1
SCHEMBL4354618 0.78 KDM4E (0.36) PDE4BHDAC1HDAC8HDAC6ADRB2
SCHEMBL4035309 0.76 ICMT (0.51) ICMTNR1D1
SCHEMBL4354611 0.73 PTGDR2 (0.38) PDE4BHDAC1HDAC8HDAC6ADRB2
SCHEMBL3589491 0.72 NPC1 (0.44) IRAK4PTGER1
SCHEMBL4362553 0.72 PTGDR2 (0.39) PDE4BHDAC1HDAC8HDAC6ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
US-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor GLAXO GROUP LIMITED (GB) 2009-11-12 US disclosed
EP-2041126-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR Glaxo Group Limited (GB) 2009-04-01 EP disclosed
WO-2008006794-A1 INDOLE COMPOUNDS HAVING AFFINITY TO THE EP1 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-01-17 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-20090281152-A1 Indole Compounds Having Affinity to the EP1 Receptor PTGER1, PTGER2, PTGER3 ICMT 946/4885NR1D1 334/4885IRAK4 2344/4885

“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.