SCHEMBL1156883

SCHEMBL1156883

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 5/20 0.39
RORC P51449 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.36
RIPK1 Q13546 1/20 0.36
HTR2C P28335 3/20 0.36
SLC6A4 P31645 3/20 0.36
HTR2A P28223 1/20 0.36
NOD2 Q9HC29 1/20 0.36
NOD1 Q9Y239 1/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRM2 Q14416 1/20 0.35
PTGDR2 Q9Y5Y4 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
SCHEMBL24893394 0.91 HTR2C (0.34) HTR6RIPK1HTR2CSLC6A4HTR2A
SCHEMBL1156788 0.91 KDM4E (0.38) HTR6KMT2AHTR2CSLC6A4NOD2
SCHEMBL1156621 0.89 HTR2C (0.42) HTR6KMT2AHTR2CSLC6A4
SCHEMBL2416549 0.89 RIPK1 (0.39) HTR6KMT2ARIPK1HTR2CSLC6A4
SCHEMBL1157010 0.89 HTR6 (0.41) HTR6CYP3A4CYP2D6
SCHEMBL4411752 0.88 HTR2C (0.41) HTR6KMT2AHTR2CSLC6A4
SCHEMBL31755113 0.87 TSHR (0.38) HTR6HTR2CSLC6A4PTGDR2
SCHEMBL1156168 0.85 KMT2A (0.46) HTR6KMT2AHCRTR1HCRTR2PTGDR2
SCHEMBL31755092 0.84 HTR2C (0.37) HTR6RIPK1HTR2CSLC6A4HTR2A
SCHEMBL1278232 0.84 HTR2C (0.35) RORCHTR2CSLC6A4HTR2A

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 HTR6 1412/4885RORC 1849/4885CYP3A4 92/4885

“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.