SCHEMBL12622076

SCHEMBL12622076

O=S(=O)(c1ccc(CO)cc1)N1CCOC12CCN(Cc1ccc(CO)cc1)CC2

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ HCRTR1 O43613 2/20 0.47
▸ HCRTR2 O43614 2/20 0.47
▸ TSHR P16473 1/20 0.41
▸ CHRM2 P08172 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ USP2 O75604 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HIF1A Q16665 1/20 0.38

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
SCHEMBL15426005 0.95 HCRTR1 (0.52) L3MBTL1ALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL12663594 0.88 L3MBTL1 (0.52) L3MBTL1ALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL12626027 0.87 ALDH1A1 (0.49) L3MBTL1ALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL25493808 0.86 L3MBTL1 (0.53) L3MBTL1ALDH1A1HCRTR1HCRTR2USP2
SCHEMBL18061825 0.86 L3MBTL1 (0.48) L3MBTL1ALDH1A1HCRTR1HCRTR2
SCHEMBL13035959 0.85 HCRTR1 (0.58) L3MBTL1ALDH1A1HCRTR1HCRTR2TSHR
SCHEMBL12663591 0.85 ALDH1A1 (0.53) L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL12626207 0.85 L3MBTL1 (0.61) L3MBTL1ALDH1A1MAPK1SMN1; SMN2
SCHEMBL12621885 0.82 HCRTR1 (0.53) L3MBTL1ALDH1A1HCRTR1HCRTR2MAPK1
SCHEMBL12626946 0.82 HCRTR1 (0.53) L3MBTL1ALDH1A1HCRTR1HCRTR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11661580-B2 Method of inhibiting tau phosphorylation CASSAVA SCIENCES, INC. (US) 2023-05-30 — — US disclosed
US-10017736-B2 Method of inhibiting tau phosphorylation PAIN THERAPEUTICS, INC. (US) 2018-07-10 — — US disclosed
US-9500640-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS, INC. (US) 2016-11-22 — — US disclosed
US-9433604-B2 Method for inhibiting growth of cancer cells PAIN THERAPEUTICS INC. (US) 2016-09-06 — — US disclosed
US-9354223-B2 Alzheimer's disease assay in a living patient PAIN THERAPEUTICS INC. (US) 2016-05-31 — — US disclosed
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS PAIN THERAPEUTICS, INC. 2015-05-28 — — US disclosed
US-20140017698-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT WANG HOAU-YAN (US) 2014-01-16 — — US disclosed
US-20140018341-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION CASSAVA SCIENCES, INC. 2014-01-16 — — US disclosed
US-20140017699-A1 ALZHEIMER'S DISEASE ASSAY IN A LIVING PATIENT CASSAVA SCIENCES, INC. 2014-01-16 — — US disclosed
US-8580809-B2 Filamin A-binding anti-inflammatory analgesic PAIN THERAPEUTICS, INC. (US) 2013-11-12 — — US disclosed
US-8580808-B2 Filamin A-binding anti-inflammatory analgesic Pain Therapeutic, Inc. (US) 2013-11-12 — — US disclosed
US-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US disclosed
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC PAIN THERAPEUTICS 2011-05-05 — — US 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 (6 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-20110105484-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3970/4885ALDH1A1 2702/4885HCRTR1 3537/4885
US-20110105547-A1 FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC FLNA, FLNB, OPRK1 L3MBTL1 3970/4885ALDH1A1 2702/4885HCRTR1 3537/4885
US-20140018341-A1 METHOD OF INHIBITING TAU PHOSPHORYLATION FLNA, FLNB, MAPT L3MBTL1 1789/4885ALDH1A1 4388/4885HCRTR1 2888/4885
US-11661580-B2 Method of inhibiting tau phosphorylation FLNA, FLNB, MAPT L3MBTL1 1789/4885ALDH1A1 4388/4885HCRTR1 2888/4885
US-10017736-B2 Method of inhibiting tau phosphorylation FLNA, FLNB, MAPT L3MBTL1 1789/4885ALDH1A1 4388/4885HCRTR1 2888/4885
US-20150148318-A1 METHOD FOR INHIBITING GROWTH OF CANCER CELLS FLNA, FLNB, FSCN1 L3MBTL1 1041/4885ALDH1A1 3552/4885HCRTR1 3430/4885

“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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