SCHEMBL5550412

SCHEMBL5550412

Cc1c(C(C)C(=O)O)c2cc(O)ccc2n1C(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.45
CNR1 P21554 9/20 0.45
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
MTOR P42345 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGS2 P35354 3/20 0.42
PTGS1 P23219 1/20 0.42
SLC22A12 Q96S37 1/20 0.40
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL5554421 0.81 PTGS2 (0.50) CNR2CNR1PTGS2PTGS1
SCHEMBL5554423 0.81 PTGS2 (0.50) CNR2CNR1PTGS2PTGS1
SCHEMBL5547111 0.81 PTGS2 (0.50) CNR2CNR1PTGS2PTGS1
SCHEMBL6024947 0.80 PTGS1 (0.66) CNR2CNR1TP53CYP3A4HPGD
SCHEMBL5554413 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5553785 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5553789 0.80 PTGS2 (0.51) PTGS2PTGS1
SCHEMBL5545939 0.80 PTGS2 (0.65) MTORPTGS2PTGS1
SCHEMBL5549754 0.80 PTGS2 (0.65) MTORPTGS2PTGS1
SCHEMBL5545907 0.80 PTGS2 (0.65) MTORPTGS2PTGS1

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-20070293542-A1 Selective Cox-2 Inhibitors IRONWOOD PHARMACEUTICALS, INC. 2007-12-20 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-20070293542-A1 Selective Cox-2 Inhibitors PTGS2, FAAH2, PTGES2 CNR2 12/4885CNR1 37/4885TP53 4773/4885

“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.