Sugi Predict

Sugi Predict / Compounds / SCHEMBL961304

SCHEMBL961304

SCHEMBL961304

O=C(Nc1nccs1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.66
▸ CNR2 P34972 2/20 0.58
▸ HTT P42858 2/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ CNR1 P21554 1/20 0.51
▸ NR3C1 P04150 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ LMNA P02545 2/20 0.50
▸ NTSR1 P30989 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ ESR1 P03372 1/20 0.50
▸ PGR P06401 1/20 0.50
▸ AR P10275 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ CA12 O43570 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ CA4 P22748 1/20 0.49

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
SCHEMBL16073057 0.91 EPHX2 (0.59) EPHX2CNR2HTTMEN1KMT2A
SCHEMBL16073072 0.86 SMN1; SMN2 (0.60) EPHX2CNR2HTTMEN1KMT2A
SCHEMBL16073084 0.85 EPHX2 (0.53) EPHX2CNR2HTTMEN1KMT2A
SCHEMBL12858259 0.81 GAA (0.54) EPHX2HTTKMT2ANR3C1ALDH1A1
SCHEMBL20457131 0.80 EPHX2 (0.51) EPHX2CNR2CNR1LMNAALDH1A1
SCHEMBL15113176 0.80 MEN1 (0.63) MEN1KMT2ALMNAALDH1A1CA12
SCHEMBL18671592 0.76 POLB (0.46) EPHX2HTTMEN1KMT2ANR3C1
SCHEMBL962327 0.75 CNR2 (0.53) EPHX2CNR2MEN1KMT2ACNR1
SCHEMBL963487 0.75 CNR2 (0.53) EPHX2CNR2HTTMEN1KMT2A
SCHEMBL12871151 0.74 NR3C1 (0.47) EPHX2HTTMEN1KMT2ANR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024349-B1 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2017-08-02 — — EP disclosed
US-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 — — US disclosed
US-9604946-B2 Methods for modulating bacterial virulence and related compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-03-28 — — US disclosed
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBVIE INC (US) 2015-08-20 — — US disclosed
US-9006275-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBVIE INC. (US) 2015-04-14 — — US disclosed
US-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-18 — — US disclosed
US-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2014-09-18 — — US disclosed
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-04-14 — — US disclosed
US-7875639-B2 Compounds as cannabinoid receptor ligands and uses thereof ABBOTT LABORATORIES (US) 2011-01-25 — — US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 — — US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 — — US disclosed
US-20100120789-A1 Compound STERIX LIMITED (GB) 2010-05-13 — — US disclosed
EP-2024349-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF Abbott Laboratories (US) 2009-02-18 — — EP disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 — — US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 — — US disclosed
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors STERIX LIMITED (GB) 2009-02-12 — — US disclosed
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection ABBVIE INC. 2008-03-13 — — US disclosed
WO-2007140439-A2 COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF ABBOTT LABORATORIES (US) 2007-12-06 — — WO disclosed
EP-1861384-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS Sterix Limited (GB) 2007-12-05 — — EP disclosed
WO-2006100502-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE INHIBITORS STERIX LIMITED (GB) 2006-09-28 — — 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 (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-20140275189-A1 Methods for Modulating Bacterial Virulence and Related Compounds STAT1, MLEC, CGAS EPHX2 3823/4885CNR2 2499/4885HTT 4567/4885
US-20150231141-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 EPHX2 398/4885CNR2 2/4885HTT 3483/4885
US-20110086855-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS AND USES THEREOF CNR1, CNR2, OPRL1 EPHX2 398/4885CNR2 2/4885HTT 3483/4885
US-20080064699-A1 Such as N-[3-(2-methoxyethyl)-1,3-thiazol-2(3H)-ylidene]adamantane-1-carboxamide; neuropathic, nociceptive and/or inflammatory pain; neuroprotection OPRL1, OPRK1, OPRD1 EPHX2 437/4885CNR2 5/4885HTT 1356/4885
US-20090042929-A1 11-Beta-Hydroxysteroid Dehydrogenase Inhibitors HSD3B1, HSD3B2, HSD11B1 EPHX2 481/4885CNR2 927/4885HTT 4393/4885
US-20100120789-A1 Compound NR0B2, NR0B1, NR4A1 EPHX2 1653/4885CNR2 121/4885HTT 4373/4885

“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.