SCHEMBL3960264

SCHEMBL3960264

COc1cccc(CCn2c(C(=O)O)cc3ccccc32)c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.61
ALDH1A1 P00352 1/20 0.55
CYP1A2 P05177 1/20 0.55
POLB P06746 1/20 0.55
KMT2A Q03164 1/20 0.53
MCL1 Q07820 4/20 0.52
F10 P00742 1/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.49
SIGMAR1 Q99720 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.48
PPARG P37231 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
SCHEMBL3956671 0.89 CCR2 (0.77) CCR2POLBKMT2AF10PPARG
SCHEMBL3963612 0.86 SMN1; SMN2 (0.59) CCR2KMT2AF10SIGMAR1ABCG2
SCHEMBL1422436 0.84 CCR2 (0.74) CCR2ALDH1A1CYP1A2POLBMCL1
SCHEMBL4209741 0.81 CCR2 (0.70) CCR2ALDH1A1CYP1A2POLBKMT2A
SCHEMBL3956751 0.79 CCR2 (0.84) CCR2ALDH1A1KMT2A
SCHEMBL3965499 0.79 CCR2 (0.73) CCR2KMT2AF10
SCHEMBL29433700 0.79 CCR2 (0.74) CCR2ALDH1A1CYP1A2POLBKMT2A
SCHEMBL3964251 0.79 CCR2 (0.74) CCR2ALDH1A1CYP1A2POLBKMT2A
SCHEMBL1422759 0.78 MTNR1A (0.65) CCR2ALDH1A1CYP1A2POLBKMT2A
SCHEMBL29750342 0.78 ALDH1A1 (0.64) CCR2ALDH1A1CYP1A2POLBMCL1

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 1071/4885ALDH1A1 2106/4885CYP1A2 203/4885
US-20030199689-A1 New indole derivatives as factor Xa inhibitors F5, F12, F2 CCR2 851/4885ALDH1A1 1886/4885CYP1A2 215/4885
US-20050043302-A1 New indole derivatives as factor Xa inhibitors F12, F5, F2 CCR2 1193/4885ALDH1A1 1808/4885CYP1A2 213/4885

“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.