SCHEMBL3486711

SCHEMBL3486711

Cc1ccc(S(=O)(=O)/N=c2\ccc(I)cn2CC(N)=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
PKM P14618 3/20 0.42
F2 P00734 4/20 0.41
PRSS1 P07477 4/20 0.41
PRSS2 P07478 4/20 0.41
PRSS3 P35030 4/20 0.41
ALDH1A1 P00352 4/20 0.40
KMT2A Q03164 1/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL3486714 1.00 POLB (0.45) POLBPKMF2PRSS1PRSS2
SCHEMBL3486084 0.90 POLB (0.47) POLBPKMF2PRSS1PRSS2
SCHEMBL13498732 0.90 POLB (0.47) POLBPKMF2PRSS1PRSS2
SCHEMBL3486085 0.90 POLB (0.47) POLBPKMF2PRSS1PRSS2
SCHEMBL1321460 0.85 POLB (0.45) POLBPKMF2PRSS1PRSS2
SCHEMBL12119821 0.85 POLB (0.45) POLBPKMF2PRSS1PRSS2
SCHEMBL1302993 0.85 POLB (0.45) POLBPKMF2PRSS1PRSS2
SCHEMBL1321457 0.85 POLB (0.45) POLBPKMF2PRSS1PRSS2
SCHEMBL3451435 0.85 POLB (0.45) POLBPKMF2PRSS1PRSS2
SCHEMBL3485753 0.85 PKM (0.56) POLBPKMF2PRSS1PRSS2

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
EP-2058309-A1 FUSED HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-05-13 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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND IRAK1, IL1R1, IRAK2 POLB 4619/4885PKM 1216/4885F2 3370/4885

“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.