SCHEMBL4390694

SCHEMBL4390694

Cc1cc(-n2c(C)cc(OC(F)(F)c3ccccc3)cc2=O)ccc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 13/20 0.44
MYC P01106 2/20 0.40
CTSB P07858 2/20 0.40
KLKB1 P03952 1/20 0.40
ELANE P08246 1/20 0.40
MMP9 P14780 1/20 0.40
DUSP3 P51452 1/20 0.40
NR4A1 P22736 1/20 0.39
ALDH1A1 P00352 2/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
PKM P14618 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 1/20 0.35

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
SCHEMBL4390688 0.83 ALDH1A1 (0.47) NOTUMALDH1A1PKMMAPT
SCHEMBL4386846 0.81 NOTUM (0.42) NOTUMMYCCTSBKLKB1ELANE
SCHEMBL4390691 0.77 NOTUM (0.40) NOTUMMYCCTSBKLKB1ELANE
SCHEMBL4390686 0.73 MRGPRX4 (0.48) NOTUMMYCCTSBKLKB1ELANE
SCHEMBL17177038 0.69 MYC (0.74) NOTUMMYCCTSBKLKB1ELANE
SCHEMBL4386842 0.64 ALDH1A1 (0.46) NOTUMALDH1A1PKMMAPT
SCHEMBL966871 0.63 RXRB (0.50) ALDH1A1RXRARXRB
SCHEMBL561046 0.62 NOTUM (0.68) NOTUMMYCCTSBKLKB1ELANE
SCHEMBL424990 0.62 RXRB (0.70) NOTUMALDH1A1RXRARXRB
SCHEMBL5127944 0.61 RXRB (0.49) ALDH1A1RXRARXRBNR1H4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629363-B2 antiinflammatory agent for treating asthma and chronic pulmonary inflammatory disease PFIZER INC (US) 2009-12-08 US disclosed
EP-1490064-B1 SUBSTITUTED PYRIDINONES AS MODULATORS OF P38 MAP KINASE PHARMACIA CORP (US) 2009-11-18 EP disclosed
US-7067540-B2 Substituted pyridinones PHARMACIA CORPORATION (US) 2006-06-27 US disclosed
US-20050176775-A1 Substituted pyridinones PHARMACIA CORPORATION 2005-08-11 US disclosed
US-20040058964-A1 Substituted pyridinones PHARMACIA LLC 2004-03-25 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 (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-20040058964-A1 Substituted pyridinones MAPK1, MAPK6, MAPK7 NOTUM 3993/4885MYC 4291/4885CTSB 2767/4885
US-20050176775-A1 Substituted pyridinones MAPK1, MAPK6, MAP3K6 NOTUM 4121/4885MYC 4410/4885CTSB 2580/4885

“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.