SCHEMBL5800318

SCHEMBL5800318

CCNC(=O)Cc1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
LMNA P02545 1/20 0.38
PTGS2 P35354 11/20 0.38
PTGS1 P23219 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
P2RX7 Q99572 1/20 0.36
TSHR P16473 1/20 0.36
ELANE P08246 1/20 0.36

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
SCHEMBL5560930 0.92 PTGS2 (0.41) AKR1C3AKR1C2LMNAPTGS2PTGS1
SCHEMBL5553892 0.91 PTGS2 (0.41) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5554400 0.91 PTGS2 (0.44) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5559355 0.90 AKR1C3 (0.44) AKR1C3AKR1C2LMNAPTGS2PTGS1
SCHEMBL5558996 0.90 PTGS2 (0.46) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL6426606 0.90 AKR1C3 (0.43) AKR1C3AKR1C2LMNAPTGS2PTGS1
SCHEMBL5801325 0.89 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5801149 0.88 AKR1C3 (0.43) AKR1C3AKR1C2LMNAPTGS2PTGS1
SCHEMBL5553723 0.88 PTGS2 (0.43) AKR1C3AKR1C2PTGS2PTGS1TP53
SCHEMBL5559763 0.87 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2TP53MAPT

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 AKR1C3 585/4885AKR1C2 342/4885LMNA 4397/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885LMNA 3613/4885

“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.