SCHEMBL1260741

SCHEMBL1260741

C=CCn1c(C(=O)O)cc2cc(N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 13/20 0.56
ABCB11 O95342 1/20 0.40
GPR35 Q9HC97 2/20 0.39
F10 P00742 2/20 0.39
F2 P00734 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9613229 0.83 GPR35 (0.48) CCR2GPR35ALDH1A1MAPTSMN1; SMN2
SCHEMBL708036 0.81 CCR2 (0.63) CCR2GPR35ALDH1A1RAB9ASMN1; SMN2
SCHEMBL9613261 0.80 PTGES (0.47) CCR2ABCB11GPR35KDM4EALDH1A1
SCHEMBL23053008 0.77 CCR2 (0.60) CCR2ABCB11GPR35F10KDM4E
SCHEMBL15712747 0.77 CCR2 (0.74) CCR2ABCB11GPR35F10
SCHEMBL23053024 0.76 CCR2 (0.55) CCR2GPR35KDM4EALDH1A1HPGD
SCHEMBL1490111 0.75 BRPF1 (0.53) CCR2KDM4EALDH1A1MAPTHPGD
SCHEMBL20909820 0.74 CCR9 (0.55) CCR2GPR35ALDH1A1
SCHEMBL6969376 0.72 HSD17B10 (0.66) CCR2GPR35KDM4EALDH1A1HPGD
SCHEMBL6302599 0.72 CCR2 (1.00) CCR2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2335700-A1 Hepatitis C virus polymerase inhibitors with a heterobicylic structure BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2011-06-22 EP disclosed
US-7893084-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM CANADA LTD. (CA) 2011-02-22 US disclosed
US-7576079-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-08-18 US disclosed
EP-1414797-B9 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2009-04-15 EP disclosed
US-20090087409-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2009-04-02 US disclosed
EP-1891951-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2008-02-27 EP disclosed
EP-1414797-B1 HEPATITIS C VIRUS POLYMERASE INHIBITORS WITH A HETEROBICYLIC STRUCTURE BOEHRINGER INGELHEIM CA LTD (CA) 2008-01-02 EP disclosed
US-7141574-B2 Series of fused heterocycle compounds having improved inhibitory activity against HCV polymerase; hepatitis treatment BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-11-28 US disclosed
US-20060160798-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2006-07-20 US disclosed
US-6841566-B2 Viral polymerase inhibitors BOEHRINGER INGELHEIM, LTD. (CA) 2005-01-11 US disclosed
US-20040024190-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2004-02-05 US disclosed
US-20030236251-A1 Viral polymerase inhibitors BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-12-25 US 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 (4 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-20090087409-A1 Viral Polymerase Inhibitors NR2C2, NR4A1, MED25 CCR2 400/4885ABCB11 2409/4885GPR35 2444/4885
US-20030236251-A1 Viral polymerase inhibitors POLR2H, CTDSP1, POLR2E CCR2 223/4885ABCB11 3925/4885GPR35 4096/4885
US-20060160798-A1 Viral polymerase inhibitors NR4A1, NR1I3, RER1 CCR2 403/4885ABCB11 2525/4885GPR35 1948/4885
US-20040024190-A1 Viral polymerase inhibitors RCOR1, NR4A1, RER1 CCR2 542/4885ABCB11 1299/4885GPR35 3218/4885

“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.