SCHEMBL6423892

SCHEMBL6423892

Cc1c([C@H](CC(C)(C)C)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 1/20 0.33
ELANE P08246 1/20 0.32
CYP2B6 P20813 1/20 0.32
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NOTUM Q6P988 1/20 0.32

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
SCHEMBL6426762 0.91 AKR1C3 (0.40) AKR1C3AKR1C2MEN1KMT2ASMN1; SMN2
SCHEMBL6425995 0.90 MEN1 (0.39) AKR1C3AKR1C2CNR1CNR2MEN1
SCHEMBL6423898 0.90 MEN1 (0.39) AKR1C3AKR1C2CNR1CNR2MEN1
SCHEMBL6423915 0.89 MEN1 (0.34) AKR1C3AKR1C2CNR1CNR2MEN1
SCHEMBL6425335 0.89 AKR1C3 (0.42) AKR1C3AKR1C2MEN1KMT2APTGS1
SCHEMBL6423604 0.88 MEN1 (0.36) AKR1C3AKR1C2CNR1CNR2MEN1
SCHEMBL6425357 0.88 MEN1 (0.36) AKR1C3AKR1C2CNR1CNR2MEN1
SCHEMBL6423793 0.88 ABCB11 (0.35) AKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6425694 0.88 CNR1 (0.35) AKR1C3AKR1C2CNR1CNR2MEN1
SCHEMBL6425828 0.88 AKR1C3 (0.34) AKR1C3AKR1C2MEN1KMT2APTGS1

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.