SCHEMBL3472808

SCHEMBL3472808

CCOC(=O)c1ccc(Br)cc1S(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRA3 P34903 1/20 0.48
GABRB2 P47870 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
LMNA P02545 4/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TSHR P16473 2/20 0.46
MAPT P10636 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL1369472 0.83 NR4A2 (0.48) ALDH1A1SMN1; SMN2CA1CA2CA12
SCHEMBL14687178 0.82 CA1 (0.46) ALDH1A1GABRA1GABRA3CA1CA2
SCHEMBL234030 0.80 TSHR (0.60) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL21488190 0.80 NR1H2 (0.38) ALDH1A1SMN1; SMN2GABRA1GABRA3GABRB2
SCHEMBL4887050 0.79 MMP2 (0.48) ALDH1A1CA1CA2CA12CA7
SCHEMBL289045 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL8158480 0.79 CA12 (0.57) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL5273471 0.79 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2GABRA1GABRB1GABRA3
SCHEMBL28495116 0.78 MAPT (0.46) ALDH1A1SMN1; SMN2CA1CA2CA12
SCHEMBL2023231 0.78 TSHR (0.67) ALDH1A1SMN1; SMN2CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2565182-B1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORP (JP) 2017-10-11 EP 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
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-8816079-B2 Amide derivative and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2014-08-26 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-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 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
EP-1910308-A1 IMIDAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP 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
WO-2007002563-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO disclosed
WO-2007002563-A1 IMIDAZOLE 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 (2 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-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.