SCHEMBL5553814

SCHEMBL5553814

CC[C@@H](CCC(N)=O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2cc(F)c(O)cc12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.37
ELANE P08246 1/20 0.35
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
PLA2G2A P14555 2/20 0.34
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PTGS2 P35354 3/20 0.32
PARP1 P09874 1/20 0.32
SRC P12931 1/20 0.31

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
SCHEMBL5559120 0.91 LMNA (0.36) MEN1KMT2AELANEAKR1C3AKR1C2
SCHEMBL5559503 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2
SCHEMBL5553774 0.89 AKR1C3 (0.35) MEN1KMT2APOLBELANEAKR1C3
SCHEMBL5797135 0.89 AKR1C3 (0.34) MEN1KMT2AAKR1C3AKR1C2PTGS2
SCHEMBL5560097 0.89 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2
SCHEMBL5558807 0.89 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2
SCHEMBL5558514 0.86 PTGS2 (0.43) MEN1KMT2APOLBELANEAKR1C3
SCHEMBL5553610 0.86 MEN1 (0.35) MEN1KMT2APOLBELANEAKR1C3
SCHEMBL5558674 0.84 POLB (0.35) MEN1KMT2APOLBELANEAKR1C3
SCHEMBL5560516 0.83 ALDH1A1 (0.37) MEN1KMT2APOLBELANEPLA2G2A

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 5 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
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 MEN1 4484/4885KMT2A 1430/4885POLB 2692/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 MEN1 3824/4885KMT2A 1519/4885POLB 1611/4885

“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.