Sugi Predict

Sugi Predict / Compounds / SCHEMBL2168243

SCHEMBL2168243

SCHEMBL2168243

O=S(=O)(O)CCCN1Cc2ccccc2C1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.50
▸ CYP1A2 P05177 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ HTR7 P34969 9/20 0.47
▸ HTR1A P08908 4/20 0.47
▸ DRD2 P14416 4/20 0.47
▸ SLC6A4 P31645 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ HRH1 P35367 2/20 0.45
▸ HTR2B P41595 2/20 0.45
▸ HTR2C P28335 1/20 0.45
▸ SIGMAR1 Q99720 4/20 0.44
▸ TMEM97 Q5BJF2 1/20 0.44
▸ HTR2A P28223 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL652976 0.89 HTR7 (0.60) HTR7HTR1ADRD2SLC6A4HRH1
SCHEMBL918899 0.84 HTR7 (0.62) HTR7HTR1ADRD2SLC6A4HRH1
SCHEMBL5534105 0.77 AKR1C3 (0.45) HTR7HTR1ADRD2SLC6A4HRH1
SCHEMBL52067 0.76 HTR7 (0.35) HTR7HTR1ADRD2SLC6A4HRH1
Hydrochloric Acid SCHEMBL27651671 0.76 AKR1C3 (0.44) HTR7HTR1ADRD2SLC6A4HRH1
SCHEMBL10231039 0.76 HTR7 (0.42) HTR7HTR1ADRD2SLC6A4HRH1
SCHEMBL918540 0.76 AKR1C3 (0.44) HTR7HTR1ADRD2SLC6A4HRH1
SCHEMBL931148 0.76 CARM1 (0.49) HTR7HTR1ADRD2SLC6A4HRH1
SCHEMBL9378373 0.75 ALDH1A1 (0.58) ALDH1A1CYP1A2CYP2D6CYP2C19HTR7
SCHEMBL917869 0.75 KCNH2 (0.67) CYP2D6HTR7HTR1ADRD2HRH1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4726304-B2 — — 2011-07-20 — — JP claimed
EP-1227803-B1 COMPOUNDS FOR INHIBITING IAPP-ASSOCIATED AMYLOID DEPOSITS BELLUS HEALTH INTERNATIONAL LTD (CH) 2010-05-05 — — EP claimed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 — — US claimed
CN-1523992-A Compositions and methods for treating amyloidosis ʺ��ѧ 2004-08-25 — — CN claimed
JP-2003517458-A — — 2003-05-27 — — JP claimed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 — — EP claimed
EP-1276483-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-01-22 — — EP claimed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 — — US claimed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 — — WO claimed
WO-2000064420-A2 COMPOSITIONS AND METHODS FOR TREATING AMYLOIDOSIS USING SULPHONATE DERIVATIVES QUEEN'S UNIVERSITY AT KINGSTON (CA) 2000-11-02 — — WO claimed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 — — US disclosed
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 — — US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 — — US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 — — US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 — — US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 — — US disclosed
US-20050048000-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2005-03-03 — — US disclosed
EP-1303311-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF Neurochem, Inc. (CA) 2003-04-23 — — EP disclosed
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof NEUROCHEM (INTERNATIONAL) LIMITED (GI) 2002-08-22 — — US disclosed
WO-2002007781-A2 AMYLOID TARGETING IMAGING AGENTS AND USES THEREOF NEUROCHEM INC. (CA) 2002-01-31 — — 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 (5 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-20050048000-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 ALDH1A1 3305/4885CYP1A2 3549/4885CYP2D6 4352/4885
US-20020115717-A1 Amyloid targeting imaging agents and uses thereof APP, APBA1, BACE1 ALDH1A1 3305/4885CYP1A2 3549/4885CYP2D6 4352/4885
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ALDH1A1 2989/4885CYP1A2 2500/4885CYP2D6 3675/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ALDH1A1 2989/4885CYP1A2 2500/4885CYP2D6 3675/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 ALDH1A1 2989/4885CYP1A2 2500/4885CYP2D6 3675/4885

“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.