SCHEMBL626339

SCHEMBL626339

CS(=O)(=O)c1ccc(C2(C(O)c3ccccn3)CCC2)cc1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 2/20 0.59
NR1I2 O75469 1/20 0.44
PTGS2 P35354 5/20 0.38
GPR119 Q8TDV5 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PTGS1 P23219 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
TP53 P04637 1/20 0.35
TGFBR1 P36897 1/20 0.35
DOT1L Q8TEK3 2/20 0.34
CNR2 P34972 1/20 0.34
GCK P35557 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
SCHEMBL624448 0.83 TRPV3 (0.66) TRPV3NR1I2KDM4ETP53
SCHEMBL625858 0.80 TRPV3 (0.66) TRPV3NR1I2KDM4ETP53
SCHEMBL14956815 0.80 TRPV3 (0.66) TRPV3NR1I2KDM4EAKT1AKT2
SCHEMBL625811 0.80 TRPV3 (0.65) TRPV3NR1I2KDM4ETP53
SCHEMBL625942 0.77 TRPV3 (0.62) TRPV3NR1I2KDM4E
SCHEMBL625794 0.77 TRPV3 (0.62) TRPV3NR1I2KDM4E
SCHEMBL14894515 0.77 TRPV3 (0.62) TRPV3NR1I2KDM4E
SCHEMBL625795 0.77 TRPV3 (0.62) TRPV3NR1I2KDM4E
SCHEMBL624678 0.77 TRPV3 (0.58) TRPV3NR1I2KDM4E
SCHEMBL14893666 0.77 TRPV3 (0.58) TRPV3NR1I2KDM4ECNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US claimed
US-9156788-B2 TRPV3 modulators ABBVIE INC. (US) 2015-10-13 US disclosed
EP-2771322-A2 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2014-09-03 EP disclosed
US-8772499-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-8772500-B2 TRPV3 modulators ABBVIE INC. (US) 2014-07-08 US disclosed
US-20140080803-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2014-03-20 US disclosed
EP-2603490-A1 NOVEL TRPV3 MODULATORS AbbVie Inc. (US) 2013-06-19 EP disclosed
US-20130150409-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-06-13 US disclosed
US-20130131036-A1 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-23 US disclosed
WO-2013062964-A2 NOVEL TRPV3 MODULATORS ABBVIE INC. (US) 2013-05-02 WO disclosed
WO-2012019315-A1 NOVEL TRPV3 MODULATORS ABBOTT LABORATORIES (US) 2012-02-16 WO 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 (3 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-20130131036-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 210/4885PTGS2 416/4885
US-20130150409-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 219/4885PTGS2 559/4885
US-20140080803-A1 NOVEL TRPV3 MODULATORS TRPV3, TRPV4, TRPV5 TRPV3 1/4885NR1I2 221/4885PTGS2 556/4885

“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.