SCHEMBL6424166

SCHEMBL6424166

CCC(C)[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ELANE P08246 1/20 0.33
ALDH1A1 P00352 3/20 0.33
CYP2B6 P20813 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 2/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 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
SCHEMBL6426429 0.91 AKR1C3 (0.39) MEN1KMT2AAKR1C3AKR1C2ELANE
SCHEMBL6425697 0.91 SLC6A2 (0.35) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL6424559 0.90 MEN1 (0.37) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL6423566 0.89 AKR1C3 (0.41) MEN1KMT2AAKR1C3AKR1C2SLC6A3
SCHEMBL6426531 0.89 ABCB11 (0.34) AKR1C3AKR1C2SLC6A2SLC6A4SLC6A3
SCHEMBL6427488 0.88 AKR1C3 (0.33) MEN1KMT2AAKR1C3AKR1C2SLC6A2
SCHEMBL6456488 0.88 AKR1C3 (0.33) AKR1C3AKR1C2PTGS1PTGS2PPARG
SCHEMBL6425359 0.85 AKR1C3 (0.36) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL6423901 0.85 ALDH1A1 (0.37) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL6423897 0.84 ALDH1A1 (0.36) POLBMEN1KMT2AAKR1C3AKR1C2

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.