SCHEMBL6426426

SCHEMBL6426426

CCCC[C@H](C(=O)O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)cc12

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
ELANE P08246 1/20 0.36
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
SRC P12931 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PTGS2 P35354 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL6426940 1.00 MEN1 (0.37) MEN1POLBKMT2AELANECNR1
SCHEMBL6424195 0.97 MEN1 (0.37) MEN1POLBKMT2AELANECNR1
SCHEMBL6424926 0.95 MEN1 (0.38) MEN1POLBKMT2AELANECNR1
SCHEMBL6427490 0.95 MEN1 (0.38) MEN1POLBKMT2AELANECNR1
SCHEMBL6422831 0.91 AKR1C3 (0.38) MEN1KMT2AELANECNR2ALDH1A1
SCHEMBL6424371 0.91 AKR1C3 (0.38) MEN1KMT2AELANECNR2ALDH1A1
SCHEMBL6426436 0.91 MEN1 (0.41) MEN1POLBKMT2AELANECNR1
SCHEMBL6423512 0.91 MEN1 (0.41) MEN1POLBKMT2AELANECNR1
SCHEMBL6424712 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2
SCHEMBL6423588 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2

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 MEN1 3824/4885POLB 1611/4885KMT2A 1519/4885

“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.