SCHEMBL5800938

SCHEMBL5800938

Cc1c(C(C)C(=O)NC(C)(C)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.32
AKR1C3 P42330 2/20 0.31
AKR1C2 P52895 2/20 0.31
PTGS2 P35354 2/20 0.30
SLC22A12 Q96S37 1/20 0.30
RORC P51449 1/20 0.30

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
SCHEMBL5797733 0.94 ABCB11 (0.32) AKR1C3AKR1C2PTGS2SLC22A12
SCHEMBL5797730 0.94 ABCB11 (0.32) AKR1C3AKR1C2PTGS2SLC22A12
SCHEMBL5554343 0.92 CHRNA1 (0.34) AKR1C3AKR1C2SLC22A12
SCHEMBL5554341 0.92 CHRNA1 (0.34) AKR1C3AKR1C2SLC22A12
SCHEMBL5561362 0.91 AKR1C3 (0.32) MAOBAKR1C3AKR1C2PTGS2
SCHEMBL5560475 0.90 KDM4E (0.31) MAOBRORC
SCHEMBL5797925 0.89 AKR1C3 (0.39) AKR1C3AKR1C2PTGS2
SCHEMBL5797922 0.89 AKR1C3 (0.39) AKR1C3AKR1C2PTGS2
SCHEMBL5560356 0.88 SLC6A2 (0.34) AKR1C3AKR1C2PTGS2
SCHEMBL5560353 0.88 SLC6A2 (0.34) AKR1C3AKR1C2PTGS2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors IRONWOOD PHARMACEUTICALS, INC. 2005-10-20 US disclosed
US-20050032747-A1 COX-2 and FAAH inhibitors POLYMER CONCEPTS TECHNOLOGIES PBY, INC. 2005-02-10 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 (2 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-20050032747-A1 COX-2 and FAAH inhibitors FAAH2, FAAH, PTGS2 MAOB 181/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 MAOB 57/4885AKR1C3 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.