SCHEMBL3473049

SCHEMBL3473049

CCOC(=O)c1ccc(Br)cc1SC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GABRA1 P14867 1/20 0.49
▸ GABRB1 P18505 1/20 0.49
▸ GABRA3 P34903 1/20 0.49
▸ GABRB2 P47870 1/20 0.49
▸ CA12 O43570 2/20 0.47
▸ CA1 P00915 2/20 0.47
▸ CA2 P00918 2/20 0.47
▸ CA7 P43166 2/20 0.47
▸ CA9 Q16790 2/20 0.47
▸ CA14 Q9ULX7 2/20 0.47
▸ TSHR P16473 2/20 0.47
▸ LMNA P02545 4/20 0.47
▸ NPSR1 Q6W5P4 3/20 0.47
▸ PDE3B Q13370 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ MAPK1 P28482 2/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42

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
SCHEMBL4611677 0.86 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL8489341 0.83 CA12 (0.66) ALDH1A1CA12CA1CA2CA7
SCHEMBL17504939 0.82 NR4A2 (0.49) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL234030 0.82 TSHR (0.60) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL15271227 0.81 LMNA (0.51) ALDH1A1SMN1; SMN2CA12CA1CA2
SCHEMBL5273471 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL8158480 0.80 CA12 (0.57) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL289045 0.80 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL14321044 0.79 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL4003937 0.79 CA12 (0.70) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 — — US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 — — US disclosed
US-9000022-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2015-04-07 — — US disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 — — EP disclosed
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 — — EP disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 — — US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 — — US disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 — — US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 — — US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 — — US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 — — US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 — — US disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 — — EP disclosed
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — 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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 ALDH1A1 3198/4885SMN1; SMN2 4301/4885GABRA1 700/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 ALDH1A1 2042/4885SMN1; SMN2 4702/4885GABRA1 496/4885
US-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 ALDH1A1 1487/4885SMN1; SMN2 4666/4885GABRA1 588/4885

“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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