SCHEMBL5523581

SCHEMBL5523581

CC(=O)c1cc2nc(Nc3c(Cl)cccc3Cl)[nH]c2cc1O

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.43
EGFR P00533 1/20 0.43
SRC P12931 1/20 0.43
ZAP70 P43403 1/20 0.43
PTGES O14684 14/20 0.43
HDAC11 Q96DB2 1/20 0.42
ABL1 P00519 1/20 0.40
ALOX5 P09917 1/20 0.40
DDX3X O00571 1/20 0.40

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
SCHEMBL5522106 0.92 PTGES (0.49) PTGESALOX5
SCHEMBL2698878 0.88 HDAC11 (0.48) LCKEGFRSRCZAP70PTGES
SCHEMBL13393208 0.83 PTGES (0.48) PTGESHDAC11ALOX5
SCHEMBL2701451 0.82 PTGES (0.45) PTGESHDAC11ALOX5
SCHEMBL1964691 0.81 POLB (0.45) LCKEGFRSRCZAP70PTGES
SCHEMBL1969553 0.81 LCK (0.46) LCKEGFRSRCZAP70PTGES
SCHEMBL13393002 0.80 PTGES (0.44) PTGESHDAC11
SCHEMBL1964863 0.79 HDAC11 (0.47) LCKEGFRSRCZAP70PTGES
SCHEMBL1968284 0.78 HDAC11 (0.52) LCKEGFRSRCZAP70PTGES
SCHEMBL16318318 0.78 HDAC11 (0.52) LCKEGFRSRCZAP70PTGES

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-8519149-B2 Tricyclic compounds as mPGES-1 inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
US-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors GLENMARK PHARMACEUTICALS S.A. (CH) 2012-05-03 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-20120108583-A1 Tricyclic Compounds As mPGES-1 Inhibitors PTGES, PTGS1, PTGIS LCK 3046/4885EGFR 3292/4885SRC 3775/4885

“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.