SCHEMBL6423904

SCHEMBL6423904

Cc1c(C(C(=O)O)C2CCCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.37
AKR1C2 P52895 3/20 0.37
EPHX2 P34913 1/20 0.35
SRC P12931 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ATM Q13315 1/20 0.34
HSD11B1 P28845 1/20 0.34
ALDH1A1 P00352 3/20 0.34
PTGS2 P35354 1/20 0.34
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6426792 0.98 AKR1C3 (0.37) AKR1C3AKR1C2EPHX2SRCNPC1
SCHEMBL6426909 0.94 KMT2A (0.35) AKR1C3AKR1C2EPHX2SRCHSD11B1
SCHEMBL6425613 0.92 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2MGLL
SCHEMBL6426871 0.92 SRC (0.39) AKR1C3AKR1C2EPHX2SRCHSD11B1
SCHEMBL6424892 0.92 LMNA (0.34) AKR1C3AKR1C2EPHX2SRCHSD11B1
SCHEMBL6424919 0.91 MEN1 (0.37) HSD11B1KMT2AMEN1MGLL
SCHEMBL6424990 0.91 SRC (0.42) AKR1C3AKR1C2SRCRAB9AHSD11B1
SCHEMBL6425689 0.90 SRC (0.39) AKR1C3AKR1C2EPHX2SRCHSD11B1
SCHEMBL6423179 0.90 AKR1C3 (0.41) AKR1C3AKR1C2RAB9APTGS2KMT2A
SCHEMBL6423772 0.90 AKR1C3 (0.39) AKR1C3AKR1C2EPHX2SRCNPC1

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 AKR1C3 577/4885AKR1C2 563/4885EPHX2 40/4885

“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.