SCHEMBL2533595

SCHEMBL2533595

[CH2]Cc1ccc(S(=O)(=O)C2CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
KCNH2 Q12809 3/20 0.41
HTR2C P28335 2/20 0.41
DDIT3 P35638 2/20 0.40
MMP13 P45452 1/20 0.39
NAMPT P43490 7/20 0.39
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADAM17 P78536 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL518396 0.81 MMP13 (0.42) HTR2AKCNH2HTR2CDDIT3MMP13
SCHEMBL5755791 0.80 CA1 (0.55) HTR2AKCNH2HTR2CMMP13MAPT
SCHEMBL19454406 0.80 DDB1 (0.54) HTR2AKCNH2HTR2CMMP13DDB1
SCHEMBL20300384 0.80 CA1 (0.53) HTR2AKCNH2HTR2CDDIT3MMP13
SCHEMBL20323501 0.80 HTR2A (0.47) HTR2AKCNH2HTR2CDDIT3MMP13
SCHEMBL2536739 0.78 HTR2A (0.46) HTR2AKCNH2HTR2CNAMPT
SCHEMBL31638145 0.77 CA12 (0.58) HTR2AKCNH2HTR2C
SCHEMBL31638261 0.77 CA2 (0.56) HTR2AKCNH2HTR2CDDIT3NAMPT
SCHEMBL31638199 0.76 ALDH1A1 (0.48) HTR2AKCNH2HTR2CDDIT3MMP13
SCHEMBL2894511 0.76 CA2 (0.47) HTR2AKCNH2HTR2CDDIT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044070-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2011-10-25 US disclosed
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE MSD K.K. (JP) 2010-08-19 US disclosed
US-7595316-B2 Heteroaryloxy nitrogenous saturated heterocyclic derivative BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-09-29 US disclosed
US-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative MSD K.K. (JP) 2006-08-10 US disclosed
EP-1642898-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2006-04-05 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 (2 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-20060178375-A1 Heteroaryloxy nitrogenous saturated heterocyclic derivative HRH3, HRH4, HCRTR2 HTR2A 70/4885KCNH2 1053/4885HTR2C 35/4885
US-20100210637-A1 HETEROARYLOXY NITROGENOUS SATURATED HETEROCYCLIC DERIVATIVE HRH3, HRH4, HRH2 HTR2A 35/4885KCNH2 1611/4885HTR2C 31/4885

“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.