SCHEMBL6329587

SCHEMBL6329587

CC(C)(C)S(=O)(=O)Cc1nc(-c2ccc(OCCN)cc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 1/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ RAB9A P51151 8/20 0.43
▸ L3MBTL1 Q9Y468 6/20 0.43
▸ MAPT P10636 5/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ POLB P06746 3/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ IKBKB O14920 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ LOXL2 Q9Y4K0 2/20 0.39
▸ ATP4A P20648 2/20 0.39
▸ ATP4B P51164 2/20 0.39

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
SCHEMBL6328984 0.78 MEN1 (0.54) MEN1RAB9AL3MBTL1MAPTKMT2A
SCHEMBL6336181 0.76 MAPT (0.49) MEN1RAB9AMAPTKMT2APOLB
SCHEMBL6330775 0.76 ATP4A (0.53) MEN1RAB9AMAPTKMT2ALOXL2
SCHEMBL6327086 0.74 ATP4A (0.64) MEN1RAB9AL3MBTL1MAPTKMT2A
SCHEMBL6328730 0.74 ADRB3 (0.57) —
SCHEMBL6330900 0.74 ADRB3 (0.76) —
SCHEMBL6336185 0.72 LOXL2 (0.58) MEN1RAB9AMAPTKMT2ANPC1
SCHEMBL6329016 0.71 ADRB1 (0.52) MEN1RAB9AMAPTKMT2APOLB
SCHEMBL6330856 0.71 MAPT (0.49) MEN1RAB9AMAPTKMT2APOLB
SCHEMBL6338054 0.70 ATP4A (0.67) MEN1RAB9AMAPTKMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC 2005-04-07 — — US claimed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 — — US claimed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 — — EP claimed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 — — US claimed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 — — WO claimed
US-6706743-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC 2004-03-16 — — US disclosed
US-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-10-30 — — US disclosed
EP-1326861-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS Pfizer Products Inc. (US) 2003-07-16 — — EP disclosed
US-6566377-B2 β3 adrenergic receptor agonists and uses thereof PFIZER INC. 2003-05-20 — — US disclosed
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof DAY ROBERT F (US) 2002-05-02 — — US disclosed
WO-2002032897-A1 ALPHA-ARYL ETHANOLAMINES AND THEIR USE AS BETA-3 ADRENERGIC RECEPTOR AGONISTS PFIZER PRODUCTS INC. (US) 2002-04-25 — — 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 (3 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-20030203913-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 CDK5 4376/4885CDK5R1 2366/4885MEN1 3723/4885
US-20050075323-A1 Beta3 adrenergic receptor agonists and uses thereof ADRB3, ADRB1, ADRB2 CDK5 3968/4885CDK5R1 1832/4885MEN1 3299/4885
US-20020052392-A1 Bita3 adrenergic receptor agonists and uses thereof ADRB3, ADRA1A, ADRB1 CDK5 4772/4885CDK5R1 3536/4885MEN1 3572/4885

“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.

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