SCHEMBL963830

SCHEMBL963830

Cc1nn(C)c(-n2ccc3cc(C(F)(F)F)cnc32)c1C(CS(N)(=O)=O)S(N)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL964921 0.88 CA12 (0.30)
SCHEMBL963161 0.86 IRAK4 (0.32)
SCHEMBL963136 0.83 CDC7 (0.39)
SCHEMBL965263 0.81 IRAK4 (0.33)
SCHEMBL964354 0.81 L3MBTL1 (0.36) PKM
SCHEMBL962680 0.80 ALDH1A1 (0.33) POLBALDH1A1PTGS2
SCHEMBL27793916 0.80 MCHR1 (0.33)
SCHEMBL963829 0.78 ALDH1A1 (0.34) POLBALDH1A1PTGS2
SCHEMBL963832 0.78 ALDH1A1 (0.34) POLBALDH1A1PTGS2
SCHEMBL4553477 0.77 POLB (0.34) POLB

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-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-01-13 US disclosed
US-20080194617-A1 Fused ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-08-14 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-20080194617-A1 Fused ring compound SLC5A1, SLC5A2, GPR119 POLB 3524/4885ALDH1A1 421/4885PKM 2135/4885
US-20110009384-A1 FUSED RING COMPOUNDS AS PARTIAL AGONISTS OF PPAR-GAMMA PPARA, PPARD, PPARG POLB 1580/4885ALDH1A1 821/4885PKM 1681/4885

“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.