SCHEMBL1646591

SCHEMBL1646591

COc1ccc(COc2ccc(Br)cc2C(=O)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.61
PTGER1 P34995 2/20 0.55
NPC1 O15118 1/20 0.55
POLB P06746 1/20 0.55
RAB9A P51151 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
CCR5 P51681 1/20 0.54
FOLH1 Q04609 2/20 0.53
ANO1 Q5XXA6 1/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
SMPD1 P17405 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.51
MAOA P21397 2/20 0.49
MAOB P27338 2/20 0.49
PLA2G4B P0C869 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
FFAR1 O14842 1/20 0.49
HDAC8 Q9BY41 1/20 0.48

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
SCHEMBL1647292 0.88 LRRK2 (0.58) LRRK2PTGER1POLBCCR5ANO1
SCHEMBL1646693 0.85 LRRK2 (0.69) LRRK2PTGER1POLBFOLH1MRGPRX4
SCHEMBL17770539 0.85 MRGPRX4 (0.67) PTGER1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5629550 0.85 LRRK2 (0.55) LRRK2PTGER1NPC1POLBRAB9A
SCHEMBL384896 0.84 FOLH1 (0.68) LRRK2PTGER1POLBFOLH1PTGDR2
SCHEMBL30133911 0.83 MAOB (0.63) LRRK2CCR5SMPD1MAOAMAOB
SCHEMBL1647819 0.83 LRRK2 (0.60) LRRK2PTGER1SMN1; SMN2CCR5FOLH1
SCHEMBL1647498 0.83 FOLH1 (0.63) LRRK2NPC1POLBRAB9ASMN1; SMN2
SCHEMBL1647846 0.83 CCR5 (0.62) LRRK2PTGER1CCR5FOLH1MRGPRX4
SCHEMBL25180595 0.82 CCR5 (0.57) LRRK2PTGER1NPC1RAB9ACCR5

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
EP-2483254-B1 NOVEL COMPOUNDS GLAXO GROUP LTD (GB) 2014-08-13 EP disclosed
US-8778939-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-07-15 US disclosed
EP-2483254-A1 NOVEL COMPOUNDS Glaxo Group Limited (GB) 2012-08-08 EP disclosed
US-20120184553-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-07-19 US disclosed
WO-2011038572-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-04-07 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-20120184553-A1 NOVEL COMPOUNDS LRRK2, PARK7, PINK1 LRRK2 1/4885PTGER1 4278/4885NPC1 792/4885

“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.