SCHEMBL4676754

SCHEMBL4676754

O=C1Nc2cc(C(F)(F)F)c(I)cc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 8/20 0.47
TGM2 P21980 6/20 0.47
BCHE P06276 1/20 0.41
MAOA P21397 3/20 0.37
MAOB P27338 3/20 0.37
ALDH1A1 P00352 2/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CAPN9 O14815 1/20 0.36
CASP3 P42574 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
SLC6A11 P48066 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
SCHEMBL14499386 0.79 CES1 (0.46) CES1TGM2BCHEMAOAMAOB
SCHEMBL3871129 0.78 CES1 (0.37) CES1ALDH1A1POLBMAPTTDP1
SCHEMBL4683713 0.76 ALDH1A1 (0.47) CES1TGM2BCHEALDH1A1L3MBTL1
SCHEMBL4680850 0.73 CES1 (0.71) CES1TGM2BCHEMAOAMAOB
SCHEMBL14584631 0.73 CES1 (0.58) CES1TGM2BCHEMAOAMAOB
SCHEMBL14221459 0.72 CES1 (0.39) CES1TGM2BCHEMAOAMAOB
SCHEMBL3726368 0.69 CES1 (0.41) CES1TGM2
SCHEMBL31381684 0.69 CES1 (0.41) CES1TGM2
SCHEMBL4679100 0.68 CES1 (0.55) CES1TGM2MAOAMAOB
SCHEMBL2372316 0.68 CES1 (0.58) CES1TGM2MAOAMAOBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1333834-B1 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2008-04-23 EP disclosed
US-20070135464-A1 Antiinflammation agents AMGEN, INC. 2007-06-14 US disclosed
US-20070135464-A1 Antiinflammation agents AMGEN, INC. 2007-06-14 US disclosed
US-20070135464-A1 Antiinflammation agents AMGEN, INC. 2007-06-14 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 US disclosed
US-7186841-B2 (2-imidazolyl)quinolin-4-yl aldehydes; immunomodulators, antiproliferative agents; metabolic disorders AMGEN INC. (US) 2007-03-06 US disclosed
EP-1333834-A4 ANTIINFLAMMATION AGENTS AMGEN INC (US) 2007-01-17 EP disclosed
US-20050043330-A1 Antiinflammation agents AMGEN INC. (US) 2005-02-24 US disclosed
US-6846834-B2 Compounds contain fused carbocyclic or heterocyclic rings; modulate expression and/or function of proteins involved in inflammation, metabolism and cell proliferation AMGEN INC. (US) 2005-01-25 US disclosed
CN-1503673-A Anti-inflammatory agent �㽭�пؼ����ɷ����޹�˾ 2004-06-09 CN disclosed
EP-1333834-A2 ANTIINFLAMMATION AGENTS Tularik Inc. (US) 2003-08-13 EP disclosed
US-20020161004-A1 Antiinflammation agents SYNTEX (U.S.A.) LLC (US) 2002-10-31 US disclosed
WO-2002041843-A2 ANTIINFLAMMATION AGENTS TULARIK INC. (US) 2002-05-30 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 (3 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-20070135464-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CES1 813/4885TGM2 722/4885BCHE 2588/4885
US-20050043330-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CES1 813/4885TGM2 722/4885BCHE 2588/4885
US-20020161004-A1 Antiinflammation agents TNF, NFATC1, NFKBIA CES1 813/4885TGM2 722/4885BCHE 2588/4885

“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.