SCHEMBL5559324

SCHEMBL5559324

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.36
AKR1C2 P52895 3/20 0.36
PTGS2 P35354 7/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PTGS1 P23219 3/20 0.32
ABCB1 P08183 1/20 0.30
MAOB P27338 1/20 0.30
SLC22A12 Q96S37 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
SCHEMBL5554605 0.94 AKR1C3 (0.36) AKR1C3AKR1C2PTGS2CA1CA2
SCHEMBL5558027 0.92 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2PTGS1SLC22A12
SCHEMBL5559154 0.91 AKR1C3 (0.45) AKR1C3AKR1C2PTGS2PTGS1ABCB1
SCHEMBL5560097 0.89 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2CA1CA2
SCHEMBL5559779 0.89 PTGS2 (0.43) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5553774 0.88 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2
SCHEMBL6444490 0.86 PTGS2 (0.35) AKR1C3AKR1C2PTGS2PTGS1MAOB
SCHEMBL6444487 0.86 PTGS2 (0.35) AKR1C3AKR1C2PTGS2PTGS1MAOB
SCHEMBL5558846 0.86 AKR1C3 (0.36) AKR1C3AKR1C2CA1CA2
SCHEMBL5555053 0.85 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1643961-A4 COX-2 AND FAAH INHIBITORS MICROBIA INC (US) 2007-09-12 EP disclosed
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO disclosed
EP-1643961-A2 COX-2 AND FAAH INHIBITORS Microbia, Inc. (US) 2006-04-12 EP 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
WO-2005002525-A2 COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2005-01-13 WO 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 AKR1C3 585/4885AKR1C2 342/4885PTGS2 3/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PTGS2 4/4885

“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.