SCHEMBL5797103

SCHEMBL5797103

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.33
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SLC22A12 Q96S37 1/20 0.31
RORC P51449 1/20 0.31
PTGS1 P23219 2/20 0.31
HPGD P15428 1/20 0.30
SRC P12931 1/20 0.30
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 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
SCHEMBL5797105 1.00 PTGS2 (0.33) PTGS2AKR1C3AKR1C2KDM4ESLC22A12
SCHEMBL5820788 0.95 PTGS2 (0.33) PTGS2AKR1C3AKR1C2KDM4ESLC22A12
SCHEMBL6424081 0.91 PTGS2 (0.42) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL6424086 0.91 PTGS2 (0.42) PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL5797088 0.91 AKR1C3 (0.33) PTGS2AKR1C3AKR1C2PTGS1HPGD
SCHEMBL5559999 0.90 CHRNA1 (0.35) PTGS2AKR1C3AKR1C2SLC22A12SRC
SCHEMBL5560001 0.90 CHRNA1 (0.35) PTGS2AKR1C3AKR1C2SLC22A12SRC
SCHEMBL6425503 0.89 SLC6A2 (0.35) PTGS2AKR1C3AKR1C2KDM4ESRC
SCHEMBL6425501 0.89 SLC6A2 (0.35) PTGS2AKR1C3AKR1C2KDM4ESRC
SCHEMBL5558200 0.87 PTGS2 (0.34) PTGS2AKR1C3AKR1C2SLC22A12PTGS1

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 PTGS2 3/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PTGS2 4/4885AKR1C3 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.