SCHEMBL6426038

SCHEMBL6426038

CCC[C@@](C)(C(=O)O)c1c(C)n(C(=O)c2ccc(Cl)c(Cl)c2)c2cc(F)c(O)cc12

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.35
AKR1C2 P52895 5/20 0.35
TSHR P16473 1/20 0.35
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
RORC P51449 1/20 0.34
ABCB1 P08183 2/20 0.32
HSD11B1 P28845 1/20 0.32
PPARG P37231 1/20 0.32
SRC P12931 3/20 0.31
PRKACA P17612 2/20 0.31
PRKACG P22612 2/20 0.31
PRKACB P22694 2/20 0.31
PTGES O14684 1/20 0.31
HPGD P15428 1/20 0.31
NOTUM Q6P988 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
SCHEMBL6424170 0.94 AKR1C3 (0.34) AKR1C3AKR1C2TSHRPTGS1PTGS2
SCHEMBL6455431 0.94 RORC (0.35) AKR1C3AKR1C2PTGS1PTGS2RORC
SCHEMBL6425487 0.93 AKR1C3 (0.36) AKR1C3AKR1C2TSHRPTGS1PTGS2
SCHEMBL6424714 0.90 AKR1C3 (0.45) AKR1C3AKR1C2PTGS1PTGS2ABCB1
SCHEMBL6424588 0.89 AKR1C3 (0.35) AKR1C3AKR1C2PTGS1PTGS2RORC
SCHEMBL6426427 0.88 ELANE (0.37) AKR1C3AKR1C2PTGS1PTGS2RORC
SCHEMBL6454368 0.88 RORC (0.36) AKR1C3AKR1C2PTGS1PTGS2RORC
SCHEMBL6427562 0.87 RORC (0.38) AKR1C3AKR1C2TSHRPTGS1PTGS2
SCHEMBL6424231 0.87 TSHR (0.34) AKR1C3AKR1C2TSHRPTGS1PTGS2
SCHEMBL6424397 0.86 AKR1C3 (0.34) AKR1C3AKR1C2TSHRPTGS1PTGS2

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 563/4885TSHR 3525/4885

“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.