SCHEMBL6426674

SCHEMBL6426674

Cc1c(C(C(=O)O)C(C)(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
SLC6A2 P23975 2/20 0.33
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
POLB P06746 1/20 0.33
NOTUM Q6P988 1/20 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
CHRNA7 P36544 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
SCHEMBL6425225 0.91 AKR1C3 (0.38) ALDH1A1KMT2AAKR1C3AKR1C2NOTUM
SCHEMBL6426839 0.89 MEN1 (0.34) MEN1KMT2ASLC6A2AKR1C3AKR1C2
SCHEMBL6424132 0.89 AKR1C3 (0.41) MEN1KMT2AAKR1C3AKR1C2SLC6A3
SCHEMBL6423708 0.89 AKR1C3 (0.35) ALDH1A1L3MBTL1MEN1KMT2ASLC6A2
SCHEMBL5560505 0.87 RORC (0.33) AKR1C3AKR1C2
SCHEMBL6423787 0.87 AKR1C3 (0.32) ALDH1A1AKR1C3AKR1C2NOTUM
SCHEMBL6423752 0.87 ALDH1A1 (0.36) ALDH1A1L3MBTL1MEN1KMT2ASLC6A2
SCHEMBL5560366 0.87 PTGS2 (0.39) ALDH1A1L3MBTL1MEN1KMT2ASLC6A2
SCHEMBL5551752 0.87 PTGS2 (0.39) ALDH1A1L3MBTL1MEN1KMT2ASLC6A2
SCHEMBL5559382 0.87 PTGS2 (0.39) ALDH1A1L3MBTL1MEN1KMT2ASLC6A2

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 ALDH1A1 630/4885L3MBTL1 4595/4885MEN1 3824/4885

“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.