SCHEMBL6428539

SCHEMBL6428539

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.36
PTGS2 P35354 3/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
NOTUM Q6P988 1/20 0.34
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PPARG P37231 1/20 0.33
PTGS1 P23219 1/20 0.33
CHRNA1 P02708 1/20 0.33
CHRNG P07510 1/20 0.33
CHRNB1 P11230 1/20 0.33
CHRNB2 P17787 1/20 0.33
SLC6A2 P23975 1/20 0.33
CHRNB4 P30926 1/20 0.33
SLC6A4 P31645 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
SCHEMBL6424728 0.91 POLB (0.38) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL6424419 0.91 POLB (0.38) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL6426974 0.91 POLB (0.38) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL6424731 0.91 POLB (0.38) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL6424417 0.91 POLB (0.38) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL5550614 0.90 PTGS2 (0.41) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL6422844 0.90 AKR1C3 (0.39) AKR1C3AKR1C2NOTUMALDH1A1MEN1
SCHEMBL5554699 0.90 PTGS2 (0.41) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL5553556 0.90 PTGS2 (0.41) POLBPTGS2CNR1CNR2AKR1C3
SCHEMBL6423752 0.88 ALDH1A1 (0.36) POLBPTGS2CNR1CNR2AKR1C3

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 POLB 1611/4885PTGS2 4/4885CNR1 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.