SCHEMBL3277702

SCHEMBL3277702

O=C(O)c1c(C(=O)O)n(Cc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.56
CMA1 P23946 1/20 0.54
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
FOLH1 Q04609 3/20 0.49
POLB P06746 1/20 0.48
HPGD P15428 1/20 0.48
MCL1 Q07820 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
DNM1 Q05193 1/20 0.46
BAD Q92934 1/20 0.45
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
USP2 O75604 1/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
F10 P00742 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
SCHEMBL3277757 0.85 CMA1 (0.53) CMA1KDM4EKMT2AALDH1A1MEN1
SCHEMBL3276630 0.85 CCR2 (0.60) CCR2CMA1KDM4EKMT2AALDH1A1
SCHEMBL3276099 0.83 FOLH1 (0.63) CMA1KDM4EKMT2AALDH1A1MEN1
SCHEMBL3275490 0.82 CCR2 (0.60) CCR2CMA1KDM4EKMT2AALDH1A1
SCHEMBL3276960 0.81 FOLH1 (0.59) CMA1KDM4EKMT2AALDH1A1MEN1
SCHEMBL3279881 0.79 MCL1 (0.59) CMA1KDM4EKMT2AALDH1A1MEN1
SCHEMBL4791426 0.76 TDP1 (0.52) CMA1KDM4EKMT2AALDH1A1MEN1
SCHEMBL3282480 0.76 MCL1 (0.51) CMA1KDM4EKMT2AFOLH1POLB
SCHEMBL3282733 0.76 CNR1 (0.56) KDM4EKMT2AALDH1A1MEN1FOLH1
SCHEMBL3277663 0.75 KMT2A (0.48) CMA1KDM4EKMT2AALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2308/4885CMA1 1/4885KDM4E 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.