SCHEMBL232291

SCHEMBL232291

CCCCCCSc1cc(C(=O)OC)cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
VNN1 O95497 3/20 0.38
P4HTM Q9NXG6 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
LTC4S Q16873 1/20 0.36
CNR1 P21554 1/20 0.36
HDAC3 O15379 1/20 0.36
HIF1A Q16665 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ADRA2A P08913 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
SCHEMBL231008 0.83 LTC4S (0.54) LTC4S
SCHEMBL229858 0.82 MAPT (0.47) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL9988833 0.80 LTC4S (0.49) PPARGPPARAVNN1P4HTMLTC4S
SCHEMBL233479 0.75 P4HTM (0.41) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL236386 0.74 P4HTM (0.48) MAPTPPARAVNN1P4HTMCA1
SCHEMBL2743207 0.73 LTC4S (0.61) LTC4S
SCHEMBL236562 0.71 LTC4S (0.49) LMNAVNN1CA1CA2LTC4S
SCHEMBL237246 0.70 LTC4S (0.47) PPARGPPARAVNN1P4HTMLTC4S
SCHEMBL232866 0.67 CA1 (0.46) MAPTMEN1ALDH1A1LMNAKMT2A
SCHEMBL11240016 0.67 CA1 (0.75) MAPTMEN1ALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2406220-A1 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
EP-2406223-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS Biolipox AB (SE) 2012-01-18 EP disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 US disclosed
WO-2010103279-A1 BIS AROMATIC COMPOUNDS FOR USE AS LCT4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 WO disclosed
WO-2010103297-A2 BIS AROMATIC COMPOUNDS FOR USE AS LTC4 SYNTHASE INHIBITORS BIOLIPOX AB (SE) 2010-09-16 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-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 3714/4885MEN1 4027/4885ALDH1A1 458/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R MAPT 4117/4885MEN1 4355/4885ALDH1A1 453/4885

“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.