SCHEMBL4467883

SCHEMBL4467883

CCCc1ccc(-c2ccc(-c3ccc(S(=O)(=O)N(CC(=O)O)Cc4cccc(C(F)(F)F)c4)cc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA4 P22748 4/20 0.50
CA9 Q16790 4/20 0.50
DAGLA Q9Y4D2 4/20 0.49
CNR2 P34972 1/20 0.49
STAT3 P40763 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
MEP1B Q16820 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KCNH2 Q12809 1/20 0.46
NPSR1 Q6W5P4 2/20 0.46

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
SCHEMBL4465030 0.79 DAGLA (0.58) CA12CA1CA2CA4CA9
SCHEMBL4459383 0.77 KEAP1 (0.48) CA12CA1CA2CA4CA9
SCHEMBL4455545 0.77 PTPN1 (0.49)
SCHEMBL15705635 0.74 DAGLA (0.71) CA1CA2CA9DAGLACNR2
SCHEMBL5740916 0.72 MAPT (0.54) CA12CA1CA2CA4CA9
SCHEMBL2242197 0.72 DAGLA (0.76) CA12CA1CA2CA4CA9
SCHEMBL2245543 0.71 DAGLA (0.82) CA12CA1CA2CA4CA9
SCHEMBL19567187 0.70 MAOB (0.69) MMP2MAPT
SCHEMBL15682769 0.69 SERPINE1 (0.56) CA12CA1CA2CA4CA9
SCHEMBL13508506 0.69 LMNA (0.53) CA12CA1CA2CA4CA9

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-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 US claimed
US-7524878-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICALS DISCOVERY LLC (US) 2009-04-28 US disclosed
US-7465825-B2 Phenyl substituted carboxylic acids THE INSTITUTE FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2008-12-16 US disclosed
US-20060122257-A1 Phenyl substituted carboxylic acids THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC 2006-06-08 US disclosed
US-20050004369-A1 Phenyl substituted carboxylic acids INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-06 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-20060122257-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO CA12 3773/4885CA1 2768/4885CA2 2438/4885
US-20050004369-A1 Phenyl substituted carboxylic acids PTPA, PTPRS, PTPRO CA12 3773/4885CA1 2768/4885CA2 2438/4885

“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.