SCHEMBL4529442

SCHEMBL4529442

O=C1NC(=O)C2(CC34CN(S(=O)(=O)c5cc6cc(Cl)ccc6n5S(=O)(=O)c5ccccc5)CC(=O)N3CC3(CCN(Cc5ccccc5)CC3)O4)C=CC=CC12

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TRPV4 Q9HBA0 1/20 0.33
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
USP2 O75604 2/20 0.32
CYP1A2 P05177 1/20 0.32
PPARG P37231 2/20 0.31
PPARD Q03181 2/20 0.31
PPARA Q07869 2/20 0.31
KMT2A Q03164 2/20 0.31
MEN1 O00255 1/20 0.31

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
SCHEMBL4536459 0.93 PPARG (0.32) PPARGPPARDPPARA
SCHEMBL4532915 0.92 PPARG (0.33) PPARGPPARDPPARA
SCHEMBL4526467 0.91 PPARG (0.32) PPARGPPARDPPARA
SCHEMBL4516479 0.82 ALDH1A1 (0.39) KDM4EALDH1A1TRPV4CYP2D6CYP3A4
SCHEMBL4534420 0.82 ALDH1A1 (0.39) KDM4EALDH1A1TRPV4CYP2D6CYP3A4
SCHEMBL4528728 0.77 PPARG (0.39) KDM4EALDH1A1PPARGPPARDPPARA
SCHEMBL4246121 0.76 F10 (0.51) KDM4EALDH1A1TRPV4CYP2D6CYP3A4
SCHEMBL4514925 0.76 PPARG (0.39) ALDH1A1CYP2D6PPARGPPARDPPARA
SCHEMBL4527719 0.76 PPARG (0.34) KDM4EALDH1A1TRPV4CYP2D6CYP3A4
SCHEMBL4523344 0.75 PPARG (0.37) PPARGPPARDPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 US disclosed
EP-1864984-A1 TRICYCLIC SPIRO COMPOUND COMPRISING ACYL GROUP BOUND TO NITROGEN ATOM IN THE RING MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 EP 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 (1 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-20090076015-A1 Tricyclic Spiro Compound Comprising Acyl Group Bound to Nitrogen Atom in the Ring KCNH1, SCN1A, SCN10A KDM4E 2297/4885ALDH1A1 2791/4885TRPV4 143/4885

“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.