SCHEMBL628230

SCHEMBL628230

CS(=O)(=O)N(c1ccc(C2CCC3(CC2)OCCO3)nc1)S(C)(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 8/20 0.37
HDAC6 Q9UBN7 1/20 0.35
TRPV3 Q8NET8 1/20 0.35
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
MAPK1 P28482 1/20 0.31
MET P08581 1/20 0.31
GPR119 Q8TDV5 1/20 0.30
PKM P14618 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
SCHEMBL12338369 0.82 PDE10A (0.35) PDE10AHDAC6TRPV3
SCHEMBL629125 0.78 MET (0.45) PDE10ATRPV3PTGS1PTGS2MET
SCHEMBL25190562 0.73 TRPV3 (0.42) PDE10ATRPV3MAPK1
SCHEMBL628734 0.73 PDE10A (0.39) PDE10ATRPV3MAPK1
SCHEMBL15167135 0.73 TRPV3 (0.40) PDE10ATRPV3MAPK1
SCHEMBL16660961 0.73 TRPV3 (0.40) PDE10ATRPV3MAPK1
SCHEMBL629954 0.71 TRPV3 (0.42) PDE10ATRPV3MAPK1
SCHEMBL4482079 0.70 MAPK1 (0.44) PDE10ATRPV3L3MBTL1MAPK1GPR119
SCHEMBL25278112 0.69 TRPV3 (0.38) PDE10ATRPV3
SCHEMBL3540420 0.68 IDO1 (0.40) PDE10ATRPV3MAPK1

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
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
EP-2419417-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-03-25 EP disclosed
US-8269015-B2 4-azetidinyl-1-heteroaryl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-09-18 US disclosed
EP-2419417-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121011-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 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-20100267688-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 PDE10A 3952/4885HDAC6 2119/4885TRPV3 1736/4885

“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.