SCHEMBL3276758

SCHEMBL3276758

COc1ccc2cc(C(=O)O)n(Cc3cccc4ccccc34)c2c1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 7/20 0.58
CCR9 P51686 1/20 0.58
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MCL1 Q07820 2/20 0.48
BAD Q92934 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
FDPS P14324 1/20 0.47
MTNR1A P48039 5/20 0.47
MTNR1B P49286 3/20 0.47
NQO2 P16083 1/20 0.46

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
SCHEMBL3279450 0.91 CCR2 (0.58) CCR2CCR9KDM4EALDH1A1MCL1
SCHEMBL3279820 0.91 CCR2 (0.54) CCR2CCR9KDM4EALDH1A1MCL1
SCHEMBL3276548 0.89 CCR2 (0.54) CCR2CCR9KDM4EALDH1A1MCL1
SCHEMBL3276828 0.85 CCR9 (0.56) CCR2CCR9KDM4EALDH1A1MCL1
SCHEMBL3275429 0.82 CCR9 (0.55) CCR2CCR9KDM4EALDH1A1MCL1
SCHEMBL31689704 0.82 CCR9 (0.55) CCR2CCR9KDM4EALDH1A1MCL1
SCHEMBL3283142 0.82 CCR2 (0.61) CCR2CCR9MCL1FDPS
SCHEMBL3965499 0.81 CCR2 (0.73) CCR2CCR9MTNR1AMTNR1B
SCHEMBL25017223 0.81 CCR2 (0.49) CCR2CCR9KDM4EALDH1A1MCL1
SCHEMBL21822156 0.81 CCR2 (0.52) CCR2CCR9MCL1FDPS

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
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US claimed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
EP-1966134-B1 NOVEL FUSED PYRROLE DERIVATIVES HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
US-7696240-B2 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. (US) 2010-04-13 US disclosed
EP-1966134-A1 NOVEL FUSED PYRROLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-09-10 EP disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
WO-2007068621-A1 NOVEL FUSED PYRROLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-21 WO disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 US disclosed
US-20070142452-A1 Fused pyrrole derivatives HOFFMANN-LA ROCHE INC. 2007-06-21 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 (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-20070142452-A1 Fused pyrrole derivatives CMA1, PREP, CPA3 CCR2 2308/4885CCR9 2473/4885KDM4E 2085/4885

“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.