SCHEMBL5217170

SCHEMBL5217170

O=S(=O)(c1ccc(F)cc1)C1(F)CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.50
MMP10 P09238 1/20 0.50
HTR2C P28335 6/20 0.47
HTR2A P28223 5/20 0.47
KCNH2 Q12809 5/20 0.47
DRD2 P14416 3/20 0.47
RORC P51449 10/20 0.45
NR1I2 O75469 7/20 0.45
NR1H3 Q13133 1/20 0.45
HTR2B P41595 1/20 0.44
ALDH1A1 P00352 1/20 0.38
PTGS1 P23219 2/20 0.37
PTGS2 P35354 2/20 0.37

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
Hydrochloric Acid SCHEMBL5211487 0.98 MMP3 (0.49) MMP3MMP10HTR2CHTR2AKCNH2
Hydrochloric Acid SCHEMBL5211483 0.97 MMP3 (0.48) MMP3MMP10HTR2CHTR2AKCNH2
SCHEMBL5208997 0.84 MMP3 (0.40) MMP3MMP10HTR2CHTR2AKCNH2
SCHEMBL5213110 0.84 GAA (0.48) MMP3MMP10HTR2CHTR2AKCNH2
Hydrochloric Acid SCHEMBL5210814 0.83 MMP3 (0.39) MMP3MMP10HTR2CHTR2AKCNH2
Hydrochloric Acid SCHEMBL5208964 0.82 GAA (0.47) MMP3MMP10HTR2CHTR2AKCNH2
Hydrochloric Acid SCHEMBL5210809 0.81 MMP3 (0.39) MMP3MMP10HTR2CHTR2AKCNH2
SCHEMBL5218102 0.81 DRD2 (0.49) MMP3MMP10HTR2CHTR2AKCNH2
Hydrochloric Acid SCHEMBL5208960 0.81 GAA (0.46) MMP3MMP10HTR2CHTR2AKCNH2
SCHEMBL5217125 0.79 CA2 (0.46) MMP3MMP10KCNH2RORCALDH1A1

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 MMP3 2778/4885MMP10 2312/4885HTR2C 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.