SCHEMBL6422802

SCHEMBL6422802

CCC(C)[C@@H](C(=O)O)c1c(C)n(C(=S)c2ccc(C)cc2)c2cc(F)c(OC)cc12

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.35
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 3/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
AKR1C3 P42330 1/20 0.32
AKR1C2 P52895 1/20 0.32
PDE10A Q9Y233 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
KMT2A Q03164 1/20 0.31
CTNNB1 P35222 1/20 0.31
WNT3A P56704 1/20 0.31

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
SCHEMBL6426646 1.00 HRH3 (0.35) HRH3PTGS1PTGS2LMNAMAPK1
SCHEMBL6422808 1.00 HRH3 (0.35) HRH3PTGS1PTGS2LMNAMAPK1
SCHEMBL6423870 1.00 HRH3 (0.35) HRH3PTGS1PTGS2LMNAMAPK1
SCHEMBL6426643 1.00 HRH3 (0.35) HRH3PTGS1PTGS2LMNAMAPK1
SCHEMBL5799879 0.93 PTGS2 (0.43) PTGS1PTGS2LMNARAB9APPARG
SCHEMBL6425918 0.91 PTGS2 (0.41) PTGS1PTGS2PPARGAKR1C3AKR1C2
SCHEMBL6423444 0.91 PTGS2 (0.41) PTGS1PTGS2PPARGAKR1C3AKR1C2
SCHEMBL6423589 0.91 PTGS2 (0.41) PTGS1PTGS2PPARGAKR1C3AKR1C2
SCHEMBL6425915 0.91 PTGS2 (0.41) PTGS1PTGS2PPARGAKR1C3AKR1C2
SCHEMBL6423586 0.91 PTGS2 (0.41) PTGS1PTGS2PPARGAKR1C3AKR1C2

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 HRH3 536/4885PTGS1 7/4885PTGS2 4/4885

“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.