SCHEMBL3965499

SCHEMBL3965499

COc1cccc(Cn2c(C(=O)O)cc3ccc(OC)cc32)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.73
CCR9 P51686 2/20 0.69
KMT2A Q03164 1/20 0.54
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
GPR35 Q9HC97 1/20 0.52
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
F10 P00742 1/20 0.50
FEN1 P39748 1/20 0.49
PLA2G10 O15496 1/20 0.49

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
SCHEMBL6307840 0.91 CCR2 (0.67) CCR2CCR9KMT2AGPR35TP53
SCHEMBL3956751 0.90 CCR2 (0.84) CCR2CCR9KMT2ATP53MAPT
SCHEMBL3956671 0.90 CCR2 (0.77) CCR2CCR9KMT2AGPR35TP53
SCHEMBL6434096 0.88 CCR2 (0.64) CCR2CCR9MTNR1AMTNR1BGPR35
SCHEMBL14693726 0.85 CCR2 (0.77) CCR2CCR9MTNR1AMTNR1BGPR35
SCHEMBL6307114 0.84 CCR2 (1.00) CCR2CCR9
SCHEMBL3963206 0.84 CCR2 (0.79) CCR2CCR9KMT2AGPR35TP53
SCHEMBL3967526 0.84 CCR2 (1.00) CCR2CCR9
SCHEMBL6303376 0.83 CCR2 (0.78) CCR2CCR9KMT2AF10
SCHEMBL3967516 0.83 CCR2 (0.73) CCR2F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP claimed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US claimed
JP-2005514365-A 2005-05-19 JP claimed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP claimed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US claimed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO claimed
EP-1451185-B1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2014-08-06 EP disclosed
US-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-03-12 US disclosed
US-6906084-B2 Indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-06-14 US disclosed
US-20050043302-A1 New indole derivatives as factor Xa inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-02-24 US disclosed
EP-1451185-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2004-09-01 EP disclosed
US-20030199689-A1 New indole derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-10-23 US disclosed
WO-2003044014-A1 INDOLE-2-CARBOXAMIDES AS FACTOR XA INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2003-05-30 WO disclosed
EP-1314733-A1 Indole-2-carboxamides as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2003-05-28 EP 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 (3 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-20090069565-A1 NEW INDOLE DERIVATIVES AS FACTOR XA INHIBITORS F12, F5, F2 CCR2 1071/4885CCR9 1741/4885KMT2A 1114/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CCR2 851/4885CCR9 1480/4885KMT2A 1093/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CCR2 1193/4885CCR9 2073/4885KMT2A 894/4885

“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.