SCHEMBL3486435

SCHEMBL3486435

Cc1ccc(S(=O)(=O)Nc2ccc3c(n2)CCO3)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
KDM4E B2RXH2 4/20 0.52
PKM P14618 3/20 0.52
HSD11B1 P28845 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GAA P10253 1/20 0.45
HTT P42858 1/20 0.45
FFAR4 Q5NUL3 2/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
PKLR P30613 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL21245930 0.73 TYK2 (0.42) KDM4EPKMSMN1; SMN2ALDH1A1GAA
SCHEMBL7592521 0.71 LMNA (0.75) LMNASMN1; SMN2HPGDALDH1A1GAA
SCHEMBL3146296 0.70 KDM4E (0.58) LMNAKDM4EHSD11B1SMN1; SMN2ALDH1A1
SCHEMBL23349387 0.70 KDM4E (0.37) LMNAKDM4EPKMSMN1; SMN2ALDH1A1
SCHEMBL21227320 0.69 TYK2 (0.35) PKMHPGDGAA
SCHEMBL23583166 0.69 TYK2 (0.35) KDM4EPKMKMT2A
SCHEMBL3486583 0.69 HSD11B1 (0.91) LMNAKDM4EHSD11B1HPGDALDH1A1
SCHEMBL29506329 0.69 HSD11B1 (0.91) LMNAKDM4EHSD11B1HPGDALDH1A1
SCHEMBL3485583 0.69 KDM4E (1.00) LMNAKDM4EPKMHSD11B1SMN1; SMN2
SCHEMBL3486122 0.68 ALDH1A1 (0.82) LMNAKDM4EHSD11B1HPGDALDH1A1

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-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
US-20100029619-A1 FUSED HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMTED (JP) 2010-02-04 US disclosed
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
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 LMNA 3564/4885KDM4E 898/4885PKM 1216/4885

“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.