SCHEMBL16699291

SCHEMBL16699291

COC(=O)c1cccc(S(=O)(=O)c2nccs2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOX P28300 1/20 0.51
SLC40A1 Q9NP59 1/20 0.49
KDM4E B2RXH2 5/20 0.44
ALDH1A1 P00352 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
ABCC9 O60706 1/20 0.44
ABCC8 Q09428 1/20 0.44
KCNJ11 Q14654 1/20 0.44
KCNJ8 Q15842 1/20 0.44
POLB P06746 2/20 0.44
MEN1 O00255 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.42

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
SCHEMBL16698974 0.84 AKR1C3 (0.46) KDM4EALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL2884607 0.80 LOX (0.66) LOXSLC40A1KDM4EALDH1A1KMT2A
SCHEMBL1001483 0.76 SLC40A1 (0.54) LOXSLC40A1KDM4EALDH1A1KMT2A
SCHEMBL8796811 0.76 SLC40A1 (0.40) SLC40A1ALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL31511805 0.75 LOX (0.60) LOXSLC40A1KDM4EALDH1A1KMT2A
SCHEMBL8797130 0.74 NFE2L2 (0.47) SMN1; SMN2ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL3741524 0.73 KAT6A (0.55) KDM4ESMN1; SMN2MAPK1MAPTCA12
SCHEMBL3293304 0.73 POLB (0.57) LOXSLC40A1KDM4EALDH1A1KMT2A
SCHEMBL2651155 0.73 POLB (0.61) LOXSLC40A1KDM4EALDH1A1KMT2A
SCHEMBL1100084 0.73 ALDH1A1 (0.59) LOXSLC40A1KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3066094-B1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2020-01-08 EP disclosed
US-9890145-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-02-13 US disclosed
US-20160311811-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-10-27 US disclosed
EP-3066094-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS Takeda Pharmaceutical Company Limited (JP) 2016-09-14 EP disclosed
US-9321757-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-26 US disclosed
WO-2015068856-A1 PYRAZOLE FOR THE TREATMENT AUTOIMMUNE DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 WO disclosed
US-20150133451-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-05-14 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-20160311811-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 LOX 1816/4885SLC40A1 4556/4885KDM4E 125/4885
US-20150133451-A1 HETEROCYCLIC COMPOUND IRAK4, IRAK1, IRAK2 LOX 1816/4885SLC40A1 4556/4885KDM4E 125/4885

“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.