SCHEMBL3963206

SCHEMBL3963206

COc1cccc(Cn2c(C(=O)O)cc3cc(C)ccc32)c1

nearest known ligand 0.79

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 11/20 0.79
TP53 P04637 2/20 0.59
LMNA P02545 1/20 0.59
MIF P14174 1/20 0.53
GPR35 Q9HC97 1/20 0.52
MAPT P10636 1/20 0.52
THRB P10828 1/20 0.52
KMT2A Q03164 1/20 0.51
CCR9 P51686 1/20 0.51

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
SCHEMBL3956751 0.92 CCR2 (0.84) CCR2TP53MAPTTHRBKMT2A
SCHEMBL3967526 0.88 CCR2 (1.00) CCR2CCR9
SCHEMBL6303376 0.87 CCR2 (0.78) CCR2LMNAKMT2ACCR9
SCHEMBL3956671 0.87 CCR2 (0.77) CCR2TP53GPR35MAPTTHRB
SCHEMBL3967516 0.84 CCR2 (0.73) CCR2
SCHEMBL4541643 0.84 CCR2 (0.77) CCR2GPR35CCR9
SCHEMBL3965499 0.84 CCR2 (0.73) CCR2TP53GPR35MAPTTHRB
SCHEMBL9536869 0.84 CCR2 (0.76) CCR2GPR35MAPTCCR9
SCHEMBL3964118 0.84 CCR2 (0.72) CCR2KMT2ACCR9
SCHEMBL7247328 0.83 CCR2 (0.74) CCR2GPR35CCR9

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 1071/4885TP53 4674/4885LMNA 577/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CCR2 851/4885TP53 4840/4885LMNA 638/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CCR2 1193/4885TP53 4640/4885LMNA 257/4885

“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.