SCHEMBL5560788

SCHEMBL5560788

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
GPR139 Q6DWJ6 1/20 0.34
ELANE P08246 1/20 0.34
AKR1C3 P42330 1/20 0.34
AKR1C2 P52895 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 3/20 0.33
HSD17B10 Q99714 2/20 0.33
CTSL P07711 1/20 0.33
PIK3CD O00329 1/20 0.33
TSHR P16473 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
GAA P10253 2/20 0.32
KCNH2 Q12809 1/20 0.32

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
SCHEMBL5560792 1.00 LMNA (0.34) LMNAGPR139ELANEAKR1C3AKR1C2
SCHEMBL5558663 0.93 AKR1C3 (0.37) LMNAGPR139ELANEAKR1C3AKR1C2
SCHEMBL5558658 0.93 AKR1C3 (0.37) LMNAGPR139ELANEAKR1C3AKR1C2
SCHEMBL5799266 0.93 LMNA (0.33) LMNAGPR139ELANEAKR1C3AKR1C2
SCHEMBL5558652 0.93 AKR1C3 (0.37) LMNAGPR139ELANEAKR1C3AKR1C2
SCHEMBL5561342 0.92 TRPV1 (0.37) LMNAGPR139ELANEALDH1A1KDM4E
SCHEMBL5561347 0.92 TRPV1 (0.37) LMNAGPR139ELANEALDH1A1KDM4E
SCHEMBL5559451 0.90 CYP3A4 (0.35) LMNAELANEAKR1C3AKR1C2CYP3A4
SCHEMBL5559455 0.90 CYP3A4 (0.35) LMNAELANEAKR1C3AKR1C2CYP3A4
SCHEMBL5559505 0.89 AKR1C3 (0.36) LMNAGPR139AKR1C3AKR1C2CYP3A4

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 LMNA 4397/4885GPR139 358/4885ELANE 1980/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 LMNA 3613/4885GPR139 1989/4885ELANE 2781/4885

“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.