SCHEMBL231095

SCHEMBL231095

CN(c1ccc(Cl)cc1)c1ccc(C(=O)c2cc(Sc3ccc(F)c(F)c3)cc(C(=O)O)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 11/20 0.42
SRD5A2 P31213 2/20 0.41
RHEB Q15382 1/20 0.40
CTRC Q99895 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.35
RXRA P19793 1/20 0.35
NR4A2 P43354 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 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
SCHEMBL232867 0.88 MAPT (0.42) LTC4SL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL2743209 0.86 LMNA (0.46) LTC4SSRD5A2CTRCL3MBTL1LMNA
SCHEMBL233590 0.85 SRD5A2 (0.42) LTC4SSRD5A2CTRCL3MBTL1LMNA
SCHEMBL233511 0.84 LMNA (0.47) LTC4SSRD5A2L3MBTL1LMNAMAPT
SCHEMBL9988366 0.83 LTC4S (0.50) LTC4SRHEB
SCHEMBL2743210 0.82 LTC4S (0.41) LTC4SSRD5A2CTRCL3MBTL1LMNA
SCHEMBL232053 0.81 LTC4S (0.47) LTC4SL3MBTL1LMNAMAPTSMN1; SMN2
SCHEMBL232237 0.80 SRD5A2 (0.56) LTC4SSRD5A2L3MBTL1LMNAMAPT
SCHEMBL230420 0.80 LTC4S (0.43) LTC4SSRD5A2L3MBTL1LMNAMAPT
SCHEMBL232069 0.80 LTC4S (0.53) LTC4SRHEBL3MBTL1LMNA

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
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US disclosed
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 US 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
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2011-12-29 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 LTC4S 1/4885SRD5A2 1138/4885RHEB 3377/4885
US-20120004228-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885SRD5A2 564/4885RHEB 3811/4885

“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.