SCHEMBL1157052

SCHEMBL1157052

CN(Cc1cc(-c2ccccc2)n(S(=O)(=O)c2cccc(C(N)=O)c2)c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
APAF1 O14727 1/20 0.38
UBE2N P61088 1/20 0.38
AKR1C3 P42330 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
AOC3 Q16853 2/20 0.36
TRPV4 Q9HBA0 1/20 0.36
TNF P01375 1/20 0.36
NR1H2 P55055 1/20 0.35

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
SCHEMBL1156752 0.93 AKR1C3 (0.40) ABHD6ALDH1A1LMNAAPAF1UBE2N
SCHEMBL1156707 0.91 AKR1C3 (0.42) ALDH1A1APAF1UBE2NAKR1C3MEN1
SCHEMBL1156368 0.90 CTSG (0.42) GAAALDH1A1LMNAAPAF1UBE2N
SCHEMBL1157164 0.90 HTR2C (0.42) ABHD6HTR2CSLC6A4AOC3TRPV4
SCHEMBL1156879 0.90 AKR1C3 (0.41) ALDH1A1LMNAAPAF1UBE2NAKR1C3
SCHEMBL30894736 0.88 HTR2C (0.38) ABHD6HTR2CSLC6A4TRPV4NR1H2
SCHEMBL1156453 0.88 GAA (0.44) GAAALDH1A1LMNAAPAF1UBE2N
SCHEMBL1156776 0.86 LMNA (0.45) GAAALDH1A1LMNAMEN1KMT2A
SCHEMBL1156944 0.85 TSHR (0.49) ALDH1A1AKR1C3AOC3
SCHEMBL1156392 0.85 RORC (0.40) ABHD6HTR2CSLC6A4TRPV4NR1H2

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 ABHD6 3072/4885GAA 334/4885ALDH1A1 2505/4885

“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.