SCHEMBL6425829

SCHEMBL6425829

COc1cc2c(C(C(=O)O)C(C)(C)C)c(C)n(C(=S)c3ccc(C)cc3)c2cc1F

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
MET P08581 1/20 0.34
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
KMT2A Q03164 1/20 0.32
GAA P10253 1/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
PDE5A O76074 1/20 0.31
HRH3 Q9Y5N1 2/20 0.31
CTNNB1 P35222 1/20 0.30
WNT3A P56704 1/20 0.30
BRAF P15056 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
SCHEMBL5797285 0.92 PTGS1 (0.45) RAB9ALMNAPTGS1PTGS2KMT2A
SCHEMBL6423578 0.90 PTGS1 (0.41) RAB9ALMNAMAPK1HTTMET
SCHEMBL6424686 0.89 PTGS1 (0.44) RAB9APTGS1PTGS2KMT2AGAA
SCHEMBL6424402 0.88 LMNA (0.37) RAB9ALMNAMAPK1HTTPTGS1
SCHEMBL6425557 0.87 LMNA (0.35) RAB9ALMNAMAPK1HTTMET
SCHEMBL6426777 0.87 BCL2 (0.33)
SCHEMBL6425354 0.85 HRH3 (0.36) RAB9ALMNAMAPK1HTTPTGS1
SCHEMBL6424212 0.84 AKR1C3 (0.44) RAB9ALMNAMAPK1HTTPTGS1
SCHEMBL6423140 0.83 TAS1R3 (0.38) RAB9ALMNAMAPK1HTTPTGS1
SCHEMBL6427269 0.83 PTGS2 (0.40) RAB9ALMNAMAPK1HTTMET

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 RAB9A 3831/4885LMNA 3613/4885MAPK1 3042/4885

“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.