SCHEMBL6426850

SCHEMBL6426850

Cc1c([C@H](CC2CCCC2)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 3/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
HSD11B1 P28845 2/20 0.31
LMNA P02545 1/20 0.31
PTGS1 P23219 1/20 0.31
GRM5 P41594 1/20 0.31
FAAH O00519 1/20 0.30
MGLL Q99685 1/20 0.30
GRIN2B Q13224 1/20 0.30

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
SCHEMBL6424324 0.98 MEN1 (0.32) USP30MEN1KMT2APTGS2AKR1C3
SCHEMBL6464700 0.92 PTGS2 (0.33) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL6460405 0.91 AKR1C3 (0.33) PTGS2AKR1C3AKR1C2PTGS1MGLL
SCHEMBL6428281 0.90 AKR1C3 (0.40) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL6428226 0.90 TSHR (0.34) PTGS2AKR1C3AKR1C2HSD11B1PTGS1
SCHEMBL6425954 0.89 USP30 (0.33) USP30MEN1KMT2APTGS2AKR1C3
SCHEMBL6426870 0.89 METAP2 (0.36) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL6426519 0.89 TDP1 (0.37) USP30MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6425717 0.88 AKR1C3 (0.40) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL6428230 0.88 TSHR (0.34) PTGS2AKR1C3AKR1C2HSD11B1PTGS1

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 USP30 737/4885MEN1 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.