SCHEMBL5560583

SCHEMBL5560583

CC[C@@H](CCC(N)=O)c1c(C)n(C(=O)c2cccc(F)c2)c2cc(F)c(O)c(F)c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
TSHR P16473 1/20 0.33
ELANE P08246 1/20 0.33
PLA2G7 Q13093 1/20 0.33
PARP1 P09874 1/20 0.32
PIK3CD O00329 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ITK Q08881 1/20 0.31
CYP2D6 P10635 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
SCHEMBL5553610 0.92 MEN1 (0.35) LMNAAKR1C3AKR1C2ELANEPARP1
SCHEMBL5559986 0.89 AKR1C3 (0.34) AKR1C3AKR1C2
SCHEMBL5560925 0.89 PIK3CD (0.35) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL5559437 0.88 LMNA (0.36) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL5560919 0.88 AKR1C3 (0.33) AKR1C3AKR1C2TSHR
SCHEMBL5560586 0.88 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL5558851 0.87 AKR1C3 (0.41) AKR1C3AKR1C2
SCHEMBL5559120 0.85 LMNA (0.36) LMNAAKR1C3AKR1C2TSHRELANE
SCHEMBL5559628 0.83 PPARG (0.38) AKR1C3AKR1C2
SCHEMBL6426664 0.82 LMNA (0.38) LMNAAKR1C3AKR1C2TSHRELANE

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

“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.