SCHEMBL6424404

SCHEMBL6424404

Cc1c(C(C)C(=O)O)c2cc(O)ccc2n1C(=O)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.50
PTGS1 P23219 2/20 0.50
SRC P12931 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
AKR1C3 P42330 2/20 0.38
AKR1C2 P52895 2/20 0.38
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL2002531 0.90 PTGS2 (0.52) PTGS2PTGS1AKR1C3AKR1C2GAA
SCHEMBL6424914 0.90 PTGS2 (0.47) PTGS2PTGS1SRCPRKACAPRKACG
SCHEMBL5545939 0.88 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL2005310 0.88 PTGS2 (0.50) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5549754 0.88 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL5545907 0.88 PTGS2 (0.65) PTGS2PTGS1AKR1C3AKR1C2LMNA
SCHEMBL6424459 0.86 PTGS2 (0.47) PTGS2PTGS1SRCPRKACAPRKACG
SCHEMBL6424769 0.86 PTGS2 (0.49) PTGS2PTGS1SRCPRKACAPRKACG
SCHEMBL6423155 0.86 PTGS2 (0.47) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6423159 0.86 PTGS2 (0.47) PTGS2PTGS1AKR1C3AKR1C2

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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885PTGS1 7/4885SRC 3467/4885

“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.