SCHEMBL3577406

SCHEMBL3577406

CC1(C)OB(c2cc(S(C)(=O)=O)ccc2Cl)OC1(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA9 Q16790 4/20 0.38
PTGS2 P35354 6/20 0.38
PTGS1 P23219 2/20 0.38
NPC1 O15118 2/20 0.36
GLA P06280 1/20 0.36
G6PD P11413 1/20 0.36
IDE P14735 1/20 0.36
RAB9A P51151 1/20 0.35
CA12 O43570 1/20 0.35
CA3 P07451 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA14 Q9ULX7 1/20 0.35

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
SCHEMBL25295838 0.88 LMNA (0.41) LMNAALDH1A1MAPTCA1CA2
SCHEMBL2947811 0.83 G6PD (0.37) LMNAALDH1A1CA1CA2CA9
SCHEMBL29903344 0.81 CA1 (0.38) CA1CA2CA9PTGS2PTGS1
SCHEMBL16045981 0.81 CA1 (0.38) CA1CA2CA9PTGS2PTGS1
SCHEMBL12481487 0.80 SMO (0.57) ALDH1A1MAPTRAB9A
SCHEMBL29421539 0.79 G6PD (0.37) LMNACA1CA2CA9PTGS2
SCHEMBL395845 0.79 G6PD (0.37) LMNACA1CA2CA9PTGS2
SCHEMBL1070604 0.79 CA1 (0.55) ALDH1A1MAPTCA1CA2CA9
SCHEMBL30526648 0.79 SMN1; SMN2 (0.51) LMNACA1CA2CA9PTGS2
SCHEMBL15535998 0.79 SMN1; SMN2 (0.51) LMNACA1CA2CA9PTGS2

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 5 patents. 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
EP-1910308-B1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-09-03 EP disclosed
US-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-02-06 US disclosed
US-8569352-B2 Imidazole based LXR modulators EXELIXIS PATENT COMPANY LLC (US) 2013-10-29 US disclosed
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2010-03-25 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 (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-20140038964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1H4 LMNA 1647/4885ALDH1A1 3198/4885MAPT 3684/4885
US-20100075964-A1 IMIDAZOLE BASED LXR MODULATORS NR1H2, NR1H3, NR1I2 LMNA 2397/4885ALDH1A1 2042/4885MAPT 4348/4885

“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.