SCHEMBL233479

SCHEMBL233479

CCCCCC[S+]([O-])c1cc(C(=O)O)cc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 3/20 0.41
LTC4S Q16873 1/20 0.40
PPARA Q07869 3/20 0.38
PPARG P37231 1/20 0.38
CTRC Q99895 1/20 0.37
VNN1 O95497 3/20 0.36
HDAC3 O15379 2/20 0.36
ADRA2A P08913 1/20 0.35
HDAC1 Q13547 2/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 2/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL237246 0.85 LTC4S (0.47) P4HTMLTC4SPPARAPPARGVNN1
SCHEMBL231239 0.82 LTC4S (0.59) LTC4S
SCHEMBL232291 0.75 MAPT (0.40) P4HTMLTC4SPPARAPPARGVNN1
SCHEMBL9988833 0.75 LTC4S (0.49) P4HTMLTC4SPPARAPPARGVNN1
SCHEMBL229858 0.71 MAPT (0.47) P4HTMVNN1HDAC3HDAC1MAPT
SCHEMBL237853 0.69 P4HTM (0.46) P4HTMLTC4SPPARAVNN1HDAC1
SCHEMBL9988068 0.68 LTC4S (0.44) LTC4S
SCHEMBL237245 0.67 LTC4S (0.70) LTC4S
SCHEMBL236386 0.66 P4HTM (0.48) P4HTMLTC4SPPARAVNN1HDAC1
SCHEMBL9989567 0.66 PLK1 (0.38) P4HTMLTC4SPPARAPPARGHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 P4HTM 745/4885LTC4S 1/4885PPARA 1119/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R P4HTM 1029/4885LTC4S 1/4885PPARA 1642/4885

“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.