SCHEMBL4638880

SCHEMBL4638880

Cc1c(C(=O)O)cn(CCN2CCCC2)c1-c1ccc(F)cc1OCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MET P08581 5/20 0.44
PTGER1 P34995 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
USP2 O75604 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
BCHE P06276 1/20 0.40
MCL1 Q07820 1/20 0.39

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
SCHEMBL4638448 0.99 MET (0.44) METPTGER1L3MBTL1USP2TDP1
SCHEMBL4639630 0.85 PTGER1 (0.43) PTGER1L3MBTL1USP2TDP1FFAR4
SCHEMBL2439117 0.84 NR3C2 (0.50) MET
SCHEMBL14670326 0.84 L3MBTL1 (0.40) PTGER1L3MBTL1USP2TDP1FFAR4
SCHEMBL1380836 0.84 NR3C2 (0.49) MET
SCHEMBL14670346 0.83 PTGER1 (0.39) PTGER1L3MBTL1USP2TDP1ALDH1A1
SCHEMBL4638892 0.80 MEN1 (0.44) L3MBTL1CNR1CNR2ALDH1A1MEN1
SCHEMBL4638540 0.80 KMT2A (0.46) CNR1CNR2LMNAALDH1A1MEN1
SCHEMBL4639082 0.79 CNR2 (0.42) L3MBTL1CNR1CNR2LMNAALDH1A1
SCHEMBL4638295 0.78 KMT2A (0.43) L3MBTL1CNR1CNR2LMNAALDH1A1

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
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US claimed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US claimed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 US disclosed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO 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 (2 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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MET 857/4885PTGER1 82/4885L3MBTL1 4875/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 MET 857/4885PTGER1 82/4885L3MBTL1 4875/4885

“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.