SCHEMBL239083

SCHEMBL239083

O=C(c1ccc(-n2nc(C(F)(F)F)cc2-c2ccccc2)c(C(=O)O)c1)c1ccc(NCc2ccc(Cl)cc2)cn1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTC4S Q16873 10/20 0.41
P4HTM Q9NXG6 1/20 0.39
MAPT P10636 4/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
THRB P10828 1/20 0.38
PTGS2 P35354 2/20 0.38
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
PTGS1 P23219 1/20 0.37
MARS1 P56192 1/20 0.36

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
SCHEMBL238390 0.93 MAPT (0.41) LTC4SMAPTNR1H2NR1H3SMN1; SMN2
SCHEMBL239082 0.82 LTC4S (0.62) LTC4S
SCHEMBL238838 0.79 LTC4S (0.60) LTC4S
SCHEMBL239216 0.79 LTC4S (0.62) LTC4S
SCHEMBL236679 0.78 LTC4S (0.51) LTC4SP4HTMNR1H2NR1H3
SCHEMBL27830986 0.77 GCGR (0.52) P4HTM
SCHEMBL238391 0.77 LTC4S (0.55) LTC4S
SCHEMBL2755502 0.70 LTC4S (0.60) LTC4S
SCHEMBL236562 0.70 LTC4S (0.49) LTC4S
SCHEMBL236386 0.70 P4HTM (0.48) LTC4SP4HTMMAPT

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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-02-09 US disclosed
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors BIOLIPOX AB (SW) 2012-01-05 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-20120035217-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885P4HTM 578/4885MAPT 3787/4885
US-20120004244-A1 Bis Aromatic Compounds for Use as LTC4 Synthase Inhibitors LTC4S, LTB4R2, LTB4R LTC4S 1/4885P4HTM 403/4885MAPT 3450/4885

“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.