SCHEMBL5558566

SCHEMBL5558566

Cc1c([C@@H](C)CCC(N)=O)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.35
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
PARP1 P09874 1/20 0.33
ELANE P08246 1/20 0.32
CASP3 P42574 1/20 0.32
POLB P06746 2/20 0.32
HPGD P15428 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
PTGS2 P35354 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
SCHEMBL5560925 0.92 PIK3CD (0.35) ALDH1A1LMNAAKR1C3AKR1C2PARP1
SCHEMBL5553918 0.90 AKR1C3 (0.35) MEN1KMT2AAKR1C3AKR1C2PTGS2
SCHEMBL5554443 0.90 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2
SCHEMBL5553610 0.89 MEN1 (0.35) PLA2G2AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5798666 0.89 AKR1C3 (0.35) PLA2G2AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5558724 0.88 AKR1C3 (0.34) KMT2AAKR1C3AKR1C2HPGDPTGS2
SCHEMBL5555053 0.88 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2
SCHEMBL5553756 0.86 ALDH1A1 (0.36) PLA2G2AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5553759 0.86 ALDH1A1 (0.36) PLA2G2AALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL5553774 0.85 AKR1C3 (0.35) PLA2G2AALDH1A1L3MBTL1MEN1KMT2A

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 PLA2G2A 54/4885ALDH1A1 278/4885L3MBTL1 4558/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 PLA2G2A 62/4885ALDH1A1 630/4885L3MBTL1 4595/4885

“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.