SCHEMBL1156885

SCHEMBL1156885

CC(C)(C)CN(Cc1cc(Br)n(S(=O)(=O)c2ccc(F)cc2)c1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.40
HTR6 P50406 3/20 0.38
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
OPRK1 P41145 1/20 0.35
PTGDR Q13258 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM5 P08912 1/20 0.35
PKM P14618 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
SCHEMBL1156789 0.90 LMNA (0.39) PTGDR2NOD2NOD1ALDH1A1LMNA
SCHEMBL1156624 0.90 CHRM5 (0.43) HTR6LMNAKMT2ACHRM5
SCHEMBL4569737 0.89 PTGDR (0.42) PTGDR2HTR6ALDH1A1LMNAPTGDR
SCHEMBL4411754 0.88 CHRM5 (0.42) HTR6LMNAKMT2ACHRM5
SCHEMBL1157013 0.88 CHRM5 (0.46) PTGDR2HTR6PTGDRTAS2R14CHRM5
SCHEMBL1278234 0.84 PTGDR2 (0.35) PTGDR2ALDH1A1LMNACHRM5
SCHEMBL1156488 0.83 CHRM5 (0.36) PTGDR2ALDH1A1KMT2ACHRM5
SCHEMBL1156168 0.83 KMT2A (0.46) PTGDR2HTR6ALDH1A1KMT2A
SCHEMBL1156564 0.82 LMNA (0.41) PTGDR2HTR6ALDH1A1LMNACYP3A4
SCHEMBL1278354 0.82 TAS2R14 (0.40) ALDH1A1LMNATAS2R14KMT2ACHRM5

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 1412/4885NOD2 3364/4885

“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.