SCHEMBL3276960

SCHEMBL3276960

O=C(O)CCc1c(C(=O)O)n(Cc2cccc3ccccc23)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 10/20 0.59
CMA1 P23946 1/20 0.58
MCL1 Q07820 2/20 0.55
EGFR P00533 1/20 0.47
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3279881 0.93 MCL1 (0.59) FOLH1CMA1MCL1EGFRKDM4E
SCHEMBL3276099 0.88 FOLH1 (0.63) FOLH1CMA1MCL1EGFRKDM4E
SCHEMBL3277702 0.81 CCR2 (0.56) FOLH1CMA1MCL1KDM4EKMT2A
SCHEMBL3276630 0.80 CCR2 (0.60) FOLH1CMA1MCL1KDM4EKMT2A
SCHEMBL3277757 0.80 CMA1 (0.53) FOLH1CMA1MCL1KDM4EKMT2A
SCHEMBL3282480 0.78 MCL1 (0.51) FOLH1CMA1MCL1KDM4EKMT2A
SCHEMBL3282733 0.78 CNR1 (0.56) FOLH1MCL1KDM4EKMT2AMEN1
SCHEMBL3276293 0.78 POLB (0.53) FOLH1CMA1MCL1KDM4ETDP1
SCHEMBL3281216 0.78 FOLH1 (0.57) FOLH1CMA1MCL1KDM4EKMT2A
SCHEMBL3275490 0.77 CCR2 (0.60) FOLH1CMA1MCL1KDM4EKMT2A

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 FOLH1 125/4885CMA1 1/4885MCL1 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.