SCHEMBL6425959

SCHEMBL6425959

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

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33
TAS1R1 Q7RTX1 1/20 0.33
TAS1R2 Q8TE23 1/20 0.33
HSD11B1 P28845 1/20 0.32
PDE2A O00408 1/20 0.32
CHRM5 P08912 3/20 0.31
GRM5 P41594 1/20 0.31
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
PGR P06401 1/20 0.31
TACR2 P21452 1/20 0.30
TACR3 P29371 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
SCHEMBL6423598 0.98 MEN1 (0.33) MEN1KMT2ATAS1R3TAS1R1TAS1R2
SCHEMBL6453546 0.93 PDE2A (0.35) PDE2AAKR1C3AKR1C2TACR2TACR3
SCHEMBL6424291 0.93 AKR1C3 (0.39) MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6456664 0.91 PDE2A (0.35) PDE2AAKR1C3AKR1C2TACR2TACR3
SCHEMBL6424162 0.91 TSHR (0.35) TAS1R3TAS1R2HSD11B1PGR
SCHEMBL6425575 0.91 AKR1C3 (0.39) MEN1KMT2AAKR1C3AKR1C2
SCHEMBL6423800 0.90 ALDH1A1 (0.37) MEN1KMT2AHSD11B1GRM5
SCHEMBL6424978 0.89 TDP1 (0.38) MEN1KMT2AHSD11B1GRM5AKR1C3
SCHEMBL6423663 0.89 HSD11B1 (0.34) HSD11B1PGR
SCHEMBL6426851 0.89 MEN1 (0.33) MEN1KMT2ATAS1R3TAS1R1TAS1R2

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 1519/4885TAS1R3 4710/4885

“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.