SCHEMBL6426637

SCHEMBL6426637

Cc1c([C@](C)(C(=O)O)C(C)(C)C)c2cc(O)c(F)cc2n1C(=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
AKR1C3 P42330 2/20 0.35
AKR1C2 P52895 2/20 0.35
PTGS1 P23219 2/20 0.33
PTGS2 P35354 2/20 0.33
IGFBP3 P17936 2/20 0.33
HSD11B1 P28845 1/20 0.33
SRC P12931 3/20 0.33
PRKACA P17612 2/20 0.33
PRKACG P22612 2/20 0.33
PRKACB P22694 2/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 2/20 0.32
ABCB1 P08183 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
ABCB11 O95342 1/20 0.31
PPARG P37231 1/20 0.31
BCL2 P10415 1/20 0.31
MDM2 Q00987 1/20 0.31
MCL1 Q07820 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
SCHEMBL6451442 0.94 RORC (0.37) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6423264 0.90 AKR1C3 (0.44) AKR1C3AKR1C2PTGS1PTGS2ABCB1
SCHEMBL6427562 0.90 RORC (0.38) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6426454 0.89 MEN1 (0.35) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6424965 0.87 SRC (0.37) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6425727 0.86 RORC (0.34) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6425487 0.86 AKR1C3 (0.36) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6426038 0.85 AKR1C3 (0.35) RORCAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6423640 0.85 AKR1C3 (0.41) AKR1C3AKR1C2IGFBP3SRCPRKACA
SCHEMBL6423891 0.85 PTGS1 (0.48) AKR1C3AKR1C2PTGS1PTGS2HPGD

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 RORC 3642/4885AKR1C3 577/4885AKR1C2 563/4885

“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.