SCHEMBL6424559

SCHEMBL6424559

CCC(C)[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 5/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ELANE P08246 1/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
CYP2B6 P20813 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
CYP2C19 P33261 1/20 0.33
HRH1 P35367 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
SCHEMBL6422620 0.92 AKR1C3 (0.37) ALDH1A1ELANEAKR1C3AKR1C2SMN1; SMN2
SCHEMBL6422614 0.91 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6424514 0.90 AKR1C3 (0.33) MEN1KMT2AAKR1C3AKR1C2SLC6A2
SCHEMBL6426457 0.90 AKR1C3 (0.41) MEN1KMT2AAKR1C3AKR1C2SLC6A3
SCHEMBL6424166 0.90 POLB (0.37) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6426771 0.89 AKR1C3 (0.32) KMT2AAKR1C3AKR1C2SLC6A2SLC6A4
SCHEMBL6463590 0.89 AKR1C3 (0.32) AKR1C3AKR1C2KCNH2
SCHEMBL6423815 0.86 MEN1 (0.37) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6423401 0.85 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1L3MBTL1
SCHEMBL6423698 0.85 ALDH1A1 (0.39) MEN1KMT2APOLBALDH1A1L3MBTL1

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 3824/4885KMT2A 1519/4885POLB 1611/4885

“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.