SCHEMBL9989448

SCHEMBL9989448

CCCCCC[S+]([O-])c1ccc(C(=O)c2ccc(N(C)c3ccc(Cl)cc3)cc2)cc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 16/20 0.45
GALK1 P51570 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1723321 0.94 LTC4S (0.44) LTC4SKDM4EALDH1A1MAPT
SCHEMBL238832 0.90 LTC4S (0.48) LTC4S
SCHEMBL9989259 0.89 LTC4S (0.53) LTC4S
SCHEMBL9989370 0.85 LTC4S (0.50) LTC4S
SCHEMBL237245 0.79 LTC4S (0.70) LTC4S
SCHEMBL2948416 0.79 LTC4S (0.48) LTC4SKDM4E
SCHEMBL1724698 0.79 LTC4S (0.46) LTC4SKDM4EALDH1A1MAPT
SCHEMBL1722593 0.76 LTC4S (0.51) LTC4S
SCHEMBL1724154 0.75 LTC4S (0.49) LTC4SKDM4EMEN1ALDH1A1MAPT
SCHEMBL2888878 0.75 KDM4E (0.48) LTC4SKDM4EMEN1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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 1/4885GALK1 1977/4885KDM4E 2826/4885

“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.