SCHEMBL4080699

SCHEMBL4080699

CCC(O)(CC)c1nnc(NCCc2ccc3c(-c4ccc(F)cc4)cc(=O)oc3c2)s1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 7/20 0.55
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36
▸ LIPG Q9Y5X9 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ NOD1 Q9Y239 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NOD2 Q9HC29 1/20 0.34
▸ CYP3A4 P08684 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 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
SCHEMBL4088590 0.92 ALOX5 (0.62) ALOX5CA12CA9NOD1HPGD
SCHEMBL4137861 0.82 ALOX5 (0.70) ALOX5CA12CA9LIPGNOD1
SCHEMBL4088891 0.81 ALOX5 (0.56) ALOX5CA12CA9NOD1HPGD
SCHEMBL4085274 0.78 ALOX5 (0.47) ALOX5CA12CA9HPGDKDM4E
SCHEMBL4080470 0.76 ALOX5 (0.82) ALOX5CA12CA9NOD1HPGD
SCHEMBL756410 0.73 GRM2 (0.53) ALOX5
SCHEMBL4075997 0.73 ALOX5 (0.57) ALOX5CA12CA9HPGDKDM4E
SCHEMBL27699684 0.72 ALOX5 (0.56) ALOX5CA12CA9HPGDKDM4E
SCHEMBL4078770 0.72 ALOX5 (0.81) ALOX5CA12CA9NOD1HPGD
SCHEMBL15275058 0.72 ALOX5 (0.81) ALOX5CA12CA9NOD1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102627638-A Thiadiazole substituted coumarin derivatives and their use as leukotriene biosynthesis inhibitor MERCK FROSST CANADA LTD 2012-08-08 — — CN disclosed
US-20090227638-A1 Novel Pharmaceutical Compounds BLOUIN MARC 2009-09-10 — — US disclosed
US-7553973-B2 Pharmaceutical compounds MERCK FROSST CANADA LTD. (CA) 2009-06-30 — — US disclosed
US-20090030048-A1 Novel pharmaceutical compounds BLOUIN MARC 2009-01-29 — — US disclosed
US-20070149579-A1 Novel pharmaceutical compounds MERCK CANADA INC. (CA) 2007-06-28 — — 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 (3 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-20090030048-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885CA12 4324/4885CA9 3599/4885
US-20070149579-A1 Novel pharmaceutical compounds LTA4H, LTB4R2, LTC4S ALOX5 12/4885CA12 4324/4885CA9 3599/4885
US-20090227638-A1 Novel Pharmaceutical Compounds LTC4S, LTB4R2, LTB4R ALOX5 10/4885CA12 4503/4885CA9 3221/4885

“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.

Send feedback