SCHEMBL6425524

SCHEMBL6425524

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ELANE P08246 1/20 0.35
PTGS2 P35354 4/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
SRC P12931 1/20 0.33
MGLL Q99685 1/20 0.33
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6423812 1.00 POLB (0.39) POLBMEN1KMT2AELANEPTGS2
SCHEMBL6424898 0.92 ELANE (0.37) POLBMEN1KMT2AELANEPTGS2
SCHEMBL6426436 0.92 MEN1 (0.41) POLBMEN1KMT2AELANEPTGS2
SCHEMBL6423512 0.92 MEN1 (0.41) POLBMEN1KMT2AELANEPTGS2
SCHEMBL6423677 0.91 AKR1C3 (0.37) MEN1KMT2AELANEAKR1C3AKR1C2
SCHEMBL6425732 0.91 AKR1C3 (0.37) MEN1KMT2AELANEAKR1C3AKR1C2
SCHEMBL6425619 0.90 AKR1C3 (0.43) PTGS2AKR1C3AKR1C2
SCHEMBL6424959 0.90 AKR1C3 (0.43) PTGS2AKR1C3AKR1C2
SCHEMBL6423905 0.89 AKR1C3 (0.33) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL6424066 0.89 AKR1C3 (0.33) MEN1KMT2APTGS2AKR1C3AKR1C2

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 POLB 1611/4885MEN1 3824/4885KMT2A 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.