SCHEMBL6423708

SCHEMBL6423708

Cc1c(C(C(=O)O)C(C)(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.35
AKR1C2 P52895 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
POLB P06746 2/20 0.33
SLC6A2 P23975 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NOTUM Q6P988 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
ITGA5 P08648 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP2C19 P33261 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL6425950 0.90 AKR1C3 (0.40) AKR1C3AKR1C2ALDH1A1MEN1KMT2A
SCHEMBL6426674 0.89 ALDH1A1 (0.35) AKR1C3AKR1C2CNR1CNR2POLB
SCHEMBL6424958 0.88 AKR1C3 (0.42) AKR1C3AKR1C2CNR2MEN1KMT2A
SCHEMBL6424198 0.87 ABCB11 (0.35) AKR1C3AKR1C2NOTUMPTGS2PTGS1
SCHEMBL6428539 0.87 POLB (0.36) AKR1C3AKR1C2CNR1CNR2POLB
SCHEMBL5550614 0.87 PTGS2 (0.41) AKR1C3AKR1C2CNR1CNR2POLB
SCHEMBL5554699 0.87 PTGS2 (0.41) AKR1C3AKR1C2CNR1CNR2POLB
SCHEMBL5553556 0.87 PTGS2 (0.41) AKR1C3AKR1C2CNR1CNR2POLB
SCHEMBL6425693 0.87 MEN1 (0.34) AKR1C3AKR1C2SLC6A2MEN1KMT2A
SCHEMBL6424427 0.86 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2PTGS1

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 563/4885CNR1 55/4885

“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.