SCHEMBL5801149

SCHEMBL5801149

CCNC(=O)Cc1c(C)n(C(=O)c2cccc(F)c2)c2ccc(O)c(F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.43
AKR1C2 P52895 5/20 0.43
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGS2 P35354 6/20 0.38
PTGS1 P23219 1/20 0.38
P2RX7 Q99572 1/20 0.36
KCNH2 Q12809 1/20 0.36
TP53 P04637 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
SCHEMBL5558847 0.92 AKR1C3 (0.42) AKR1C3AKR1C2MAPTKDM4EHPGD
SCHEMBL5559443 0.91 PTGS2 (0.44) AKR1C3AKR1C2NPC1PTGS2PTGS1
SCHEMBL6465001 0.90 AKR1C3 (0.46) AKR1C3AKR1C2MAPTKDM4EHPGD
SCHEMBL5559371 0.90 PTGS2 (0.46) AKR1C3AKR1C2MAPTKDM4EHPGD
SCHEMBL5558905 0.90 PTGS2 (0.42) AKR1C3AKR1C2MAPTPTGS2PTGS1
SCHEMBL6424911 0.90 AKR1C3 (0.45) AKR1C3AKR1C2MAPTKDM4EHPGD
SCHEMBL5798095 0.89 AKR1C3 (0.45) AKR1C3AKR1C2MAPTKDM4EHPGD
SCHEMBL5800318 0.88 AKR1C3 (0.41) AKR1C3AKR1C2MAPTLMNATSHR
SCHEMBL5560684 0.87 AKR1C3 (0.43) AKR1C3AKR1C2MAPTKDM4EHPGD
SCHEMBL5801256 0.87 AKR1C3 (0.42) AKR1C3AKR1C2MAPTKDM4EHPGD

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 342/4885MAPT 4214/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885MAPT 4401/4885

“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.