SCHEMBL16213232

SCHEMBL16213232

Cc1ccc(S(=O)(=O)N2CC(C)(C)CC2Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.48
MMP2 P08253 2/20 0.45
ELANE P08246 1/20 0.44
KMT2A Q03164 1/20 0.42
FKBP1A P62942 2/20 0.42
GAA P10253 3/20 0.42
PKM P14618 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
MAPT P10636 2/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL17661790 0.94 KMT2A (0.45) NPSR1MMP2ELANEKMT2AL3MBTL1
SCHEMBL17651690 0.88 FKBP1A (0.43) MMP2KMT2AFKBP1APKMMAPT
SCHEMBL16212863 0.86 MMP1 (0.50) NPSR1MMP2KMT2AFKBP1AGAA
SCHEMBL17661791 0.85 NPSR1 (0.43) NPSR1MMP2KMT2APKML3MBTL1
SCHEMBL18221853 0.83 KMT2A (0.47) NPSR1MMP2ELANEKMT2APKM
SCHEMBL17651682 0.82 RAB9A (0.50) NPSR1MMP2KMT2APKMMAPT
SCHEMBL3832921 0.81 NPSR1 (0.55) NPSR1ELANEFKBP1AGAAPKM
SCHEMBL3832918 0.81 NPSR1 (0.55) NPSR1ELANEFKBP1AGAAPKM
SCHEMBL18221887 0.78 NPSR1 (0.58) NPSR1MMP2KMT2AGAAMAPT
SCHEMBL8192516 0.74 GAA (0.55) NPSR1ELANEKMT2AGAAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2018-07-10 US disclosed
EP-3093287-A1 AN IODINE CATALYSED PROCESS FOR PREPARING HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS Fundació Institut Català D'investigació Quimica (ES) 2016-11-16 EP disclosed
EP-3093287-A1 AN IODINE CATALYSED PROCESS FOR PREPARING HETEROCYCLIC NITROGEN-CONTAINING COMPOUNDS Fundació Institut Català D'investigació Quimica (ES) 2016-11-16 EP disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
US-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES UNIV NORTH CAROLINA (US) 2016-04-07 US disclosed
WO-2014179648-A2 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2014-11-06 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 (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-20160096791-A1 DIRECT ANTI-MARKOVNIKOV ADDITION OF ACIDS TO ALKENES HAO2, DUOX2, PDK2 NPSR1 4650/4885MMP2 3738/4885ELANE 2927/4885
US-10017441-B2 Direct anti-markovnikov addition of acids to alkenes HAO2, DUOX2, PDK2 NPSR1 4650/4885MMP2 3738/4885ELANE 2927/4885

“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.