SCHEMBL6426037

SCHEMBL6426037

Cc1c(C(C(=O)O)C2CCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MGLL Q99685 5/20 0.36
FAAH O00519 2/20 0.36
HSD11B1 P28845 2/20 0.35
DPP4 P27487 1/20 0.35
KCNH2 Q12809 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
PGR P06401 1/20 0.33
PDE2A O00408 1/20 0.33
IGFBP3 P17936 1/20 0.32
NR1H4 Q96RI1 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
GRM5 P41594 1/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL6424919 0.98 MEN1 (0.37) MEN1KMT2AMGLLFAAHHSD11B1
SCHEMBL6425963 0.92 PDE2A (0.35) MGLLFAAHKCNH2PDE2AAKR1C3
SCHEMBL6423179 0.91 AKR1C3 (0.41) MEN1KMT2AMGLLCYP2D6CYP2C9
SCHEMBL6426792 0.91 AKR1C3 (0.37) MEN1KMT2AMGLLHSD11B1AKR1C3
SCHEMBL6424892 0.91 LMNA (0.34) MEN1KMT2AMGLLFAAHHSD11B1
SCHEMBL6423781 0.90 PDE2A (0.35) MGLLFAAHKCNH2PDE2ANR1H4
SCHEMBL6426808 0.90 HSD11B1 (0.37) MGLLFAAHHSD11B1PGRAKR1C3
SCHEMBL6425689 0.90 SRC (0.39) KMT2AMGLLFAAHHSD11B1AKR1C3
SCHEMBL6425613 0.90 AKR1C3 (0.41) MGLLKCNH2NR1H4CYP3A4CYP2D6
SCHEMBL6423904 0.89 AKR1C3 (0.37) MEN1KMT2AMGLLHSD11B1AKR1C3

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 1519/4885MGLL 108/4885

“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.