SCHEMBL1156560

SCHEMBL1156560

CC(C)(C)C(Cc1cc(Br)n(S(=O)(=O)c2cccc(Cl)c2)c1)NC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
HTR6 P50406 9/20 0.38
CPT1A P50416 2/20 0.36
CPT1B Q92523 2/20 0.36
CYP3A4 P08684 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
PTPN11 Q06124 2/20 0.35
CPT2 P23786 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
ABCC9 O60706 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
KCNJ8 Q15842 1/20 0.35
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34

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 0.90 MEN1 (0.37) PTGDR2HTR6
SCHEMBL1156485 0.89 ALDH1A1 (0.35) PTGDR2ITGB1ITGA4
SCHEMBL4569735 0.88 PTGDR (0.42) PTGDR2HTR6ABCC9ABCC8KCNJ11
SCHEMBL1156787 0.85 ALOX5 (0.40) SLC1A3SLC1A2SLC1A1
SCHEMBL1156754 0.83 HSD17B10 (0.38) CYP3A4SLC1A3SLC1A2SLC1A1ABCC9
SCHEMBL1156908 0.83 HTR6 (0.40) PTGDR2HTR6
SCHEMBL1156881 0.83 PTGDR2 (0.39) PTGDR2HTR6CYP3A4
SCHEMBL1156567 0.82 SLC1A3 (0.34) PTGDR2HTR6CPT1ACPT1BSLC1A3
Carbamic Acid SCHEMBL4791644 0.82 HSD17B10 (0.36) CYP3A4SLC1A3SLC1A2SLC1A1ABCC9
SCHEMBL1157008 0.81 PPARG (0.42) PTGDR2HTR6

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 PTGDR2 606/4885HTR6 1412/4885CPT1A 3133/4885

“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.