SCHEMBL6427372

SCHEMBL6427372

Cc1c(C(C(=O)O)C2CCCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NR1H4 Q96RI1 9/20 0.35
CYP2C9 P11712 5/20 0.35
CYP3A4 P08684 4/20 0.35
CYP2D6 P10635 4/20 0.35
HSD11B1 P28845 1/20 0.35
KCNH2 Q12809 4/20 0.34
DPP4 P27487 1/20 0.34
DPP7 Q9UHL4 1/20 0.34
FAAH O00519 1/20 0.33
MGLL Q99685 1/20 0.33
GRM5 P41594 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
PGR P06401 1/20 0.33
PDE2A O00408 1/20 0.33
CHRM5 P08912 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
SCHEMBL6427479 0.98 MEN1 (0.36) MEN1KMT2ANR1H4CYP2C9CYP3A4
SCHEMBL6424012 0.93 PDE2A (0.35) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL6423869 0.93 AKR1C3 (0.39) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL6425459 0.91 TSHR (0.38) NR1H4CYP2C9CYP3A4CYP2D6HSD11B1
SCHEMBL6424875 0.91 PDE2A (0.35) NR1H4CYP2C9CYP3A4CYP2D6HSD11B1
SCHEMBL6423103 0.91 AKR1C3 (0.39) NR1H4CYP2C9CYP3A4CYP2D6KCNH2
SCHEMBL6425475 0.90 L3MBTL1 (0.39) MEN1KMT2AHSD11B1MGLL
SCHEMBL6424129 0.89 TDP1 (0.40) MEN1KMT2ACYP3A4HSD11B1MGLL
SCHEMBL6424443 0.89 HSD11B1 (0.37) CYP3A4CYP2D6HSD11B1PGR
SCHEMBL6424476 0.89 KMT2A (0.36) MEN1KMT2ANR1H4CYP2C9CYP3A4

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 1519/4885NR1H4 1725/4885

“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.