SCHEMBL6424758

SCHEMBL6424758

Cc1c([C@](C)(C(=O)O)C2CCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GRM5 P41594 7/20 0.35
HSD11B1 P28845 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GPR142 Q7Z601 1/20 0.33
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
MGLL Q99685 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
SCHEMBL6423800 0.98 ALDH1A1 (0.37) ALDH1A1L3MBTL1GRM5HSD11B1KDM4E
SCHEMBL6425052 0.92 USP2 (0.36) ALDH1A1GRM5HSD11B1KDM4EMEN1
SCHEMBL6424978 0.90 TDP1 (0.38) ALDH1A1GRM5HSD11B1KDM4EMEN1
SCHEMBL6425575 0.90 AKR1C3 (0.39) KDM4EMEN1KMT2AMGLL
SCHEMBL6423598 0.90 MEN1 (0.33) HSD11B1MEN1KMT2A
SCHEMBL6456664 0.89 PDE2A (0.35) MGLL
SCHEMBL6423663 0.89 HSD11B1 (0.34) ALDH1A1HSD11B1
SCHEMBL6424291 0.88 AKR1C3 (0.39) KDM4EMEN1KMT2AMGLL
SCHEMBL6425959 0.88 MEN1 (0.33) GRM5HSD11B1MEN1KMT2A
SCHEMBL6426874 0.88 ALDH1A1 (0.37) ALDH1A1L3MBTL1HSD11B1KDM4EKDM2B

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 4595/4885GRM5 1934/4885

“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.