SCHEMBL6424339

SCHEMBL6424339

CCC(C(=O)O)c1c(C)n(C(=O)c2ccc(Br)cc2)c2cc(Cl)c(O)cc12

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.41
PRKACA P17612 1/20 0.41
PRKACG P22612 1/20 0.41
PRKACB P22694 1/20 0.41
PTGS2 P35354 10/20 0.40
PTGS1 P23219 4/20 0.40
ABCB1 P08183 2/20 0.36
PLA2G2A P14555 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
KMT2A Q03164 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
SCHEMBL5558877 0.92 SRC (0.40) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL6424385 0.92 PTGS2 (0.41) SRCPTGS2PTGS1ABCB1AKR1C3
SCHEMBL5558321 0.92 PTGS2 (0.48) PTGS2PTGS1ABCB1AKR1C3AKR1C2
SCHEMBL6423442 0.90 SRC (0.39) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL6425041 0.90 AKR1C3 (0.44) SRCPTGS2PTGS1ABCB1AKR1C3
SCHEMBL6425584 0.88 SRC (0.41) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL5554245 0.87 PTGS2 (0.46) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL6424260 0.87 SRC (0.39) SRCPRKACAPRKACGPRKACBPTGS2
SCHEMBL6425733 0.87 PTGS2 (0.56) PTGS2PTGS1ABCB1PLA2G2AAKR1C3
SCHEMBL6425054 0.87 SRC (0.39) SRCPRKACAPRKACGPRKACBPTGS2

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 SRC 3467/4885PRKACA 1966/4885PRKACG 1457/4885

“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.