SCHEMBL595233

SCHEMBL595233

Cc1cc(C(=O)N(C)C)ncc1C(Sc1ccc(C(F)(F)F)nc1)c1cc(F)ccc1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 4/20 0.34
GPBAR1 Q8TDU6 4/20 0.32
P2RX7 Q99572 1/20 0.32
USP30 Q70CQ3 1/20 0.32
TRPV3 Q8NET8 1/20 0.31
TRPA1 O75762 1/20 0.31
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL595773 0.90 P2RX7 (0.33) P2RX7TRPV3TRPV1
SCHEMBL596467 0.89 NR3C1 (0.33) P2RX7USP30TRPV3TRPA1TRPV1
SCHEMBL14338966 0.86 P2RX7 (0.31) P2RX7
SCHEMBL596139 0.84 METAP2 (0.39) P2RX7TRPV3TRPV1
SCHEMBL596651 0.81 TRPV3 (0.32) TRPV3
SCHEMBL595628 0.80 PSEN1 (0.35) GPR6GPBAR1P2RX7TRPA1
SCHEMBL14338941 0.80 P2RX7 (0.32) P2RX7TRPV3TRPV1
SCHEMBL596131 0.79 GPR6 (0.33) GPR6GPBAR1P2RX7USP30TRPV3
SCHEMBL13799668 0.77 KMT2A (0.41) TRPV1
SCHEMBL595215 0.77 KMO (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-8114886-B2 Pyridylmethylsulfone derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-02-14 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
US-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-06-11 US disclosed
EP-1867636-A1 PYRIDYLMETHYLSULFONE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2007-12-19 EP 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-20090149439-A1 PYRIDYLMETHYSULFONE DERIVATIVE APP, IAPP, BACE1 GPR6 3511/4885GPBAR1 1729/4885P2RX7 2484/4885

“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.