SCHEMBL1748982

SCHEMBL1748982

O=C(O)c1ccc(OS(=O)(=O)C(F)(F)F)cn1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 12/20 0.50
P4HA1 P13674 1/20 0.46
MIF P14174 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 1/20 0.44
ASPH Q12797 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CXCR2 P25025 2/20 0.40
CXCR1 P25024 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
SCHEMBL29488317 0.79 P4HTM (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2300999 0.79 P4HTM (0.53) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL6852624 0.79 CA1 (0.40) P4HTMP4HA1CXCR2CXCR1
SCHEMBL7952665 0.77 CA1 (0.39) ALDH1A1L3MBTL1CXCR2CXCR1
SCHEMBL287075 0.77 P4HTM (0.58) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL10329128 0.77 P4HTM (0.50) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL17162305 0.77 P4HTM (0.54) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL752015 0.76 CXCR2 (0.39) CXCR2CXCR1
SCHEMBL8804385 0.75 CXCR2 (0.37) CXCR2CXCR1
SCHEMBL17520868 0.75 P4HTM (0.49) P4HTMP4HA1MIFKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968550-B2 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2011-06-28 US disclosed
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-09-06 US disclosed
US-7223788-B2 therapy for eating disorders, anorexigenic agents, antidiabetic agents, reducing weight in mammals, circadian rhythm disease, psychological disorders SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-05-29 US disclosed
US-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-04 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-20040220191-A1 Substituted N-aryl heterocycles, process for their preparation and their use as medicaments CYP11B2, CYP11B1, CYP1A1 P4HTM 368/4885P4HA1 215/4885MIF 1177/4885
US-20070207991-A1 Substituted N-aryl Heterocycles, Process For Their Preparation and Their Use As Medicaments CYP11B2, CYP11B1, NQO1 P4HTM 357/4885P4HA1 314/4885MIF 1097/4885

“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.