SCHEMBL5797302

SCHEMBL5797302

Cc1c([C@H](C)C(N)=O)c2c(F)c(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 0.32
APP P05067 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
CHRNB2 P17787 1/20 0.32
SLC6A2 P23975 1/20 0.32
CHRNB4 P30926 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRND Q07001 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
PTGS2 P35354 3/20 0.31
TACR2 P21452 1/20 0.31
TACR3 P29371 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
SCHEMBL5797297 1.00 MEN1 (0.35) MEN1KMT2AAKR1C3AKR1C2APP
SCHEMBL5813881 0.92 TACR3 (0.34) AKR1C3AKR1C2APPPTGS2TACR2
SCHEMBL5813878 0.92 TACR3 (0.34) AKR1C3AKR1C2APPPTGS2TACR2
SCHEMBL5558924 0.92 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2
SCHEMBL5558919 0.92 AKR1C3 (0.41) AKR1C3AKR1C2PTGS2
SCHEMBL5545922 0.90 PTGS2 (0.38) MEN1KMT2AAKR1C3AKR1C2CHRNA1
SCHEMBL5554213 0.90 PTGS2 (0.38) MEN1KMT2AAKR1C3AKR1C2CHRNA1
SCHEMBL5561181 0.90 PTGS2 (0.38) MEN1KMT2AAKR1C3AKR1C2CHRNA1
SCHEMBL5554617 0.90 HPGD (0.33) MEN1KMT2AAKR1C3AKR1C2APP
SCHEMBL5554621 0.90 HPGD (0.33) MEN1KMT2AAKR1C3AKR1C2APP

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO 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

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 1430/4885AKR1C3 585/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 MEN1 3824/4885KMT2A 1519/4885AKR1C3 577/4885

“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.