SCHEMBL237246

SCHEMBL237246

CCCCCC[S+]([O-])c1ccc(C(=O)c2ccc(NCc3ccc(Cl)cc3)cn2)cc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 17/20 0.47
P4HTM Q9NXG6 1/20 0.40
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
VNN1 O95497 1/20 0.37

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
SCHEMBL233479 0.85 P4HTM (0.41) LTC4SP4HTMPPARGPPARAVNN1
SCHEMBL9988068 0.83 LTC4S (0.44) LTC4S
SCHEMBL237245 0.82 LTC4S (0.70) LTC4S
SCHEMBL9988833 0.82 LTC4S (0.49) LTC4SP4HTMPPARGPPARAVNN1
SCHEMBL237853 0.80 P4HTM (0.46) LTC4SP4HTMPPARAVNN1
SCHEMBL2755484 0.78 LTC4S (0.67) LTC4S
SCHEMBL237499 0.75 LTC4S (0.56) LTC4S
SCHEMBL1722596 0.74 CNR1 (0.36) LTC4S
SCHEMBL9989259 0.74 LTC4S (0.53) LTC4S
SCHEMBL236386 0.72 P4HTM (0.48) LTC4SP4HTMPPARAVNN1

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-20120004244-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-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885P4HTM 403/4885PPARG 1124/4885
US-20110319431-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885P4HTM 745/4885PPARG 1329/4885

“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.