SCHEMBL5558674

SCHEMBL5558674

CC[C@@H](CCC(N)=O)c1c(C)n(C(=O)c2cccc(Cl)c2)c2ccc(O)c(F)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
ELANE P08246 1/20 0.33
HPGD P15428 2/20 0.33
PTGS2 P35354 1/20 0.32
PARP1 P09874 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 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
SCHEMBL5559437 0.91 LMNA (0.36) MEN1KMT2AAKR1C3AKR1C2PLA2G2A
SCHEMBL5553610 0.90 MEN1 (0.35) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL5798666 0.89 AKR1C3 (0.35) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL5559644 0.89 AKR1C3 (0.42) MEN1KMT2AAKR1C3AKR1C2PTGS2
SCHEMBL6425551 0.89 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2
SCHEMBL5561035 0.88 AKR1C3 (0.34) MEN1KMT2AAKR1C3AKR1C2PTGS2
SCHEMBL5561537 0.88 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2
SCHEMBL5553814 0.84 MEN1 (0.37) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL5558514 0.83 PTGS2 (0.43) POLBMEN1KMT2AAKR1C3AKR1C2
SCHEMBL6425995 0.83 MEN1 (0.39) POLBMEN1KMT2AAKR1C3AKR1C2

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

“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.