SCHEMBL973510

SCHEMBL973510

CCCC(=O)C(Cc1ccc(F)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CPA1 P15085 1/20 0.45
LDHA P00338 1/20 0.45
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
TRPA1 O75762 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
FFAR1 O14842 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
HTR7 P34969 1/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2565008 0.84 CYP1A2 (0.52) CPA1LDHATDP1POLBKMT2A
SCHEMBL754625 0.82 LDHA (0.57) CPA1LDHAPPARGPPARATRPA1
SCHEMBL22240322 0.81 HPGD (0.47) HPGDCPA1TRPA1TDP1POLB
SCHEMBL8039405 0.81 LDHA (0.73) LDHAPPARGPPARAFFAR1
SCHEMBL6312723 0.79 CPA1 (0.50) CPA1LDHAPPARGPPARATRPA1
SCHEMBL3989322 0.77 MMP8 (0.55) HPGDCPA1LDHAPPARGPPARA
SCHEMBL8376371 0.76 CNR2 (0.46) CPA1PPARGPOLB
SCHEMBL15000261 0.75 CPA1 (0.44) HPGDCPA1LDHAPPARGPPARA
SCHEMBL29865172 0.75 PPARA (0.56) HPGDCPA1PPARGPPARATDP1
SCHEMBL5887753 0.75 LDHA (0.54) CPA1LDHAPPARGPPARAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7994318-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-08-09 US disclosed
US-7872142-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2011-01-18 US disclosed
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-08-05 US disclosed
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-07-08 US disclosed
US-7709664-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-05-04 US disclosed
US-7026491-B2 Coumarin derivatives useful as TNFα inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-04-11 US disclosed
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2006-01-26 US disclosed
US-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-01-20 US disclosed
WO-2002008217-A2 COUMARIN DERIVATIVES USEFUL AS TNFα INHIBITORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-01-31 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 (4 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-20050014705-A1 Coumarin derivatives useful as tnf alpha inhibitors TNF, NFKBIA, TNFRSF1A HPGD 544/4885CPA1 1672/4885LDHA 3293/4885
US-20100197917-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A HPGD 525/4885CPA1 1451/4885LDHA 3201/4885
US-20100174076-A1 COUMARIN DERIVATIVES USEFUL AS TNF ALPHA INHIBITORS TNF, NFKBIA, TNFRSF1A HPGD 525/4885CPA1 1451/4885LDHA 3201/4885
US-20060020138-A1 Coumarin derivatives useful as TNFalpha inhibitors TNF, NFKBIA, TNFRSF1A HPGD 462/4885CPA1 1108/4885LDHA 3356/4885

“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.