SCHEMBL1156543

SCHEMBL1156543

CC(C)(C)C(Cc1cc(Br)n(S(=O)(=O)c2ccccc2C#N)c1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.37
KLK7 P49862 1/20 0.36
ADAM17 P78536 1/20 0.35
POLB P06746 1/20 0.34
ABCC9 O60706 2/20 0.34
ABCC8 Q09428 2/20 0.34
KCNJ11 Q14654 2/20 0.34
KCNJ8 Q15842 2/20 0.34
KDM2B Q8NHM5 1/20 0.33
PKM P14618 1/20 0.33
NR3C1 P04150 2/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATM Q13315 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
PTPN1 P18031 1/20 0.32
PGR P06401 1/20 0.32

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
SCHEMBL1156617 0.85 MEN1 (0.37) LMNAPOLBATMALDH1A1
SCHEMBL1156865 0.82 BRAF (0.40) KDM4EALDH1A1PTPN1
SCHEMBL2409999 0.81 PTPN1 (0.33) LMNAKDM4EKLK7KDM2BPTPN1
SCHEMBL1156787 0.80 ALOX5 (0.40) LMNAKDM4EL3MBTL1ALDH1A1
SCHEMBL1156300 0.79 KDM4E (0.37) KDM4EKLK7POLBPKMNR3C1
SCHEMBL1156485 0.78 ALDH1A1 (0.35) POLBALDH1A1
SCHEMBL1156881 0.78 PTGDR2 (0.39) LMNA
SCHEMBL4569735 0.78 PTGDR (0.42) LMNAABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1156560 0.78 PTGDR2 (0.39) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL1156754 0.77 HSD17B10 (0.38) KDM4EADAM17ABCC9ABCC8KCNJ11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8048909-B2 Proton pump inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-11-01 US disclosed
EP-2336107-A2 Proton pump inhibitors Takeda Pharmaceutical Company Limited (JP) 2011-06-22 EP disclosed
US-20110028476-A1 PROTON PUMP INHIBITORS KAJINO MASAHIRO 2011-02-03 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 (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-20110028476-A1 PROTON PUMP INHIBITORS HRH2, HRH4, CYP2C19 LMNA 3735/4885KDM4E 2128/4885KLK7 4150/4885

“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.