SCHEMBL3280334

SCHEMBL3280334

COc1cccc2c1cc(C(=O)O)n2Cc1csc2ccc(F)cc12

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.54
MTNR1B P49286 4/20 0.43
MTNR1A P48039 3/20 0.43
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
F10 P00742 3/20 0.38
CMA1 P23946 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CA2 P00918 1/20 0.37
HTR1A P08908 1/20 0.37
EDNRB P24530 1/20 0.37
EDNRA P25101 1/20 0.37
PLA2G4A P47712 1/20 0.36
HRH2 P25021 1/20 0.36

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
SCHEMBL3277021 0.82 CCR2 (0.57) CCR2MTNR1BMTNR1AF10MEN1
SCHEMBL3275889 0.82 CCR2 (0.53) CCR2MTNR1BMTNR1ACMA1MEN1
SCHEMBL3283537 0.78 CCR2 (0.47) CCR2MTNR1BMTNR1ATP53MAPT
SCHEMBL3275538 0.76 CCR2 (0.56) CCR2
SCHEMBL3277800 0.76 CCR2 (0.61) CCR2MTNR1BMTNR1AF10CMA1
SCHEMBL699964 0.74 CCR2 (0.65) CCR2MTNR1BMTNR1AMAPTMEN1
SCHEMBL3276068 0.74 POLB (0.48) MTNR1BMTNR1ATP53MAPTMEN1
SCHEMBL3276066 0.73 KMT2A (0.42) CCR2MTNR1BMTNR1ATP53MAPT
SCHEMBL15512655 0.73 KMT2A (0.68) MTNR1BMTNR1AMAPTCMA1MEN1
SCHEMBL3275484 0.73 FOLH1 (0.53) MTNR1BMTNR1AMAPTCMA1MEN1

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 2308/4885MTNR1B 259/4885MTNR1A 147/4885

“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.