SCHEMBL2536739

SCHEMBL2536739

[CH2]Cc1cccc(S(=O)(=O)C2CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.46
KCNH2 Q12809 6/20 0.44
HTR2C P28335 3/20 0.44
DRD2 P14416 2/20 0.40
AKR1C3 P42330 3/20 0.38
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HTR6 P50406 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
NPC1 O15118 1/20 0.35
TNF P01375 1/20 0.35
RAB9A P51151 1/20 0.35
NOD1 Q9Y239 1/20 0.35
MAPK1 P28482 1/20 0.34
ELOVL6 Q9H5J4 1/20 0.34
NAMPT P43490 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
SCHEMBL23213956 0.83 HTR2A (0.46) HTR2AKCNH2HTR2CDRD2AKR1C3
SCHEMBL29853757 0.83 HTR2A (0.46) HTR2AKCNH2HTR2CDRD2AKR1C3
SCHEMBL20178525 0.83 HTR2A (0.46) HTR2AKCNH2HTR2CDRD2AKR1C3
SCHEMBL19277422 0.83 HTR2A (0.46) HTR2AKCNH2HTR2CDRD2AKR1C3
SCHEMBL29853952 0.83 HTR2A (0.46) HTR2AKCNH2HTR2CDRD2AKR1C3
SCHEMBL2533595 0.78 HTR2A (0.44) HTR2AKCNH2HTR2CNAMPT
SCHEMBL5429963 0.77 DRD2 (0.47) HTR2AKCNH2HTR2CDRD2AKR1C3
SCHEMBL2566589 0.74 HTR6 (0.56) HTR2AKCNH2HTR2CDRD2HTR6
SCHEMBL5425859 0.74 ADRB2 (0.46) HTR2AKCNH2HTR2CDRD2AKR1C3
SCHEMBL20590889 0.74 HTR2A (0.40) HTR2AKCNH2HTR2CDRD2AKR1C3

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.