SCHEMBL3276271

SCHEMBL3276271

Cc1ccc2cccc(Cn3c(C(=O)O)cc4ccccc43)c2c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.58
CCR9 P51686 1/20 0.50
MCL1 Q07820 4/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
FDPS P14324 1/20 0.47
PLA2G10 O15496 1/20 0.46
GPR35 Q9HC97 1/20 0.45
MEN1 O00255 1/20 0.45
USP2 O75604 1/20 0.45
KMT2A Q03164 1/20 0.45
CNR2 P34972 1/20 0.44
CMA1 P23946 1/20 0.44
DAO P14920 1/20 0.43
BAD Q92934 1/20 0.43

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
SCHEMBL3276828 0.90 CCR9 (0.56) CCR2CCR9MCL1ALDH1A1CYP1A2
SCHEMBL3276445 0.88 CCR2 (0.55) CCR2CCR9MCL1FDPSGPR35
SCHEMBL3276117 0.85 CCR2 (0.58) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3275772 0.85 CCR2 (0.67) CCR2CCR9MCL1
SCHEMBL3275459 0.85 CCR2 (0.48) CCR2CCR9MCL1ALDH1A1FDPS
SCHEMBL3279820 0.85 CCR2 (0.54) CCR2CCR9MCL1ALDH1A1
SCHEMBL3277134 0.81 F10 (0.57) CCR2MCL1FDPSCMA1BAD
SCHEMBL3277685 0.81 CCR2 (0.53) CCR2CCR9MCL1ALDH1A1CYP1A2
SCHEMBL3276249 0.81 CCR2 (0.55) CCR2MCL1ALDH1A1CYP1A2POLB
SCHEMBL3283677 0.80 CCR2 (0.60) CCR2MCL1ALDH1A1CYP1A2POLB

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 11 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
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 2473/4885MCL1 4845/4885

“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.