SCHEMBL5218102

SCHEMBL5218102

N#Cc1ccc(S(=O)(=O)C2(F)CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
KCNH2 Q12809 1/20 0.49
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 3/20 0.41
CA12 O43570 2/20 0.41
USP2 O75604 1/20 0.39
PTGS2 P35354 1/20 0.38
RORC P51449 1/20 0.37
CYP19A1 P11511 1/20 0.37
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MMP3 P08254 1/20 0.36
MMP10 P09238 1/20 0.36
MMP13 P45452 1/20 0.35
ADAM17 P78536 1/20 0.35
MAOA P21397 2/20 0.35

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
SCHEMBL5217170 0.81 MMP3 (0.50) DRD2HTR2AHTR2CKCNH2PTGS2
SCHEMBL5208997 0.80 MMP3 (0.40) DRD2HTR2AHTR2CKCNH2CA1
Hydrochloric Acid SCHEMBL5211487 0.80 MMP3 (0.49) DRD2HTR2AHTR2CKCNH2PTGS2
SCHEMBL5213110 0.80 GAA (0.48) HTR2AHTR2CKCNH2USP2RORC
Hydrochloric Acid SCHEMBL5211483 0.79 MMP3 (0.48) DRD2HTR2AHTR2CKCNH2PTGS2
Hydrochloric Acid SCHEMBL5210814 0.79 MMP3 (0.39) DRD2HTR2AHTR2CKCNH2CA1
Hydrochloric Acid SCHEMBL5208964 0.78 GAA (0.47) DRD2HTR2AHTR2CKCNH2USP2
Hydrochloric Acid SCHEMBL5210809 0.77 MMP3 (0.39) DRD2HTR2AHTR2CKCNH2CA1
Hydrochloric Acid SCHEMBL5208960 0.77 GAA (0.46) HTR2AHTR2CKCNH2USP2RORC
SCHEMBL5217125 0.75 CA2 (0.46) KCNH2CA1CA2CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1641756-B1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME (GB) 2007-04-11 EP disclosed
US-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor MERCK SHARP & DOHME LTD. (GB) 2006-09-21 US disclosed
EP-1641756-A1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME LTD. (GB) 2006-04-05 EP disclosed
WO-2004101518-A1 4-ARYLSULPHONYLPIPERIDINE DERIVATIVES FOR ANTAGONISM OF THE 5-HT2A RECEPTOR MERCK SHARP & DOHME LIMITED (GB) 2004-11-25 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 (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-20060211735-A1 4-Arylsulphonylpiperidine derivatives for antagonism of the 5-ht2a receptor HTR2A, HTR2C, HTR5A DRD2 22/4885HTR2A 1/4885HTR2C 2/4885

“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.