SCHEMBL6423800

SCHEMBL6423800

Cc1c([C@](C)(C(=O)O)C2CCCC2)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KDM4E B2RXH2 3/20 0.37
HSD11B1 P28845 1/20 0.35
SLC6A9 P48067 1/20 0.33
SLC6A5 Q9Y345 1/20 0.33
GRM5 P41594 1/20 0.33
MGLL Q99685 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM2B Q8NHM5 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
SCHEMBL6424758 0.98 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EHSD11B1SLC6A9
SCHEMBL6424978 0.92 TDP1 (0.38) ALDH1A1KDM4EHSD11B1GRM5MGLL
SCHEMBL6425052 0.90 USP2 (0.36) ALDH1A1KDM4EHSD11B1GRM5MGLL
SCHEMBL6425959 0.90 MEN1 (0.33) HSD11B1GRM5MEN1KMT2A
SCHEMBL6424291 0.90 AKR1C3 (0.39) KDM4EMGLLRAB9AMAPTMEN1
SCHEMBL6426874 0.90 ALDH1A1 (0.37) ALDH1A1L3MBTL1KDM4EHSD11B1MGLL
SCHEMBL6424162 0.89 TSHR (0.35) ALDH1A1HSD11B1
SCHEMBL6453546 0.89 PDE2A (0.35) MGLLCNR2
SCHEMBL6423598 0.88 MEN1 (0.33) HSD11B1MEN1KMT2A
SCHEMBL6425575 0.88 AKR1C3 (0.39) KDM4EMGLLRAB9AMAPTMEN1

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 ALDH1A1 630/4885L3MBTL1 4595/4885KDM4E 2209/4885

“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.