SCHEMBL5560943

SCHEMBL5560943

Cc1c([C@@H](C)C(N)=O)c2c(F)c(O)ccc2n1C(=O)c1ccc(Cl)c(F)c1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C2 P52895 2/20 0.33
APP P05067 1/20 0.33
TACR3 P29371 4/20 0.32
TACR2 P21452 3/20 0.32
TACR1 P25103 2/20 0.32
PTGS2 P35354 4/20 0.32
SLC22A12 Q96S37 1/20 0.32
PTGS1 P23219 1/20 0.31
KCNH2 Q12809 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
SCHEMBL5560945 1.00 MAOB (0.34) MAOBAKR1C3AKR1C2APPTACR3
SCHEMBL5554214 0.93 ABCB11 (0.34) AKR1C3AKR1C2PTGS2SLC22A12PTGS1
SCHEMBL5554210 0.93 ABCB11 (0.34) AKR1C3AKR1C2PTGS2SLC22A12PTGS1
SCHEMBL5560060 0.92 PTGS2 (0.39) MAOBAKR1C3AKR1C2APPPTGS2
SCHEMBL5547164 0.92 PTGS2 (0.39) MAOBAKR1C3AKR1C2APPPTGS2
SCHEMBL5557078 0.92 PTGS2 (0.39) MAOBAKR1C3AKR1C2APPPTGS2
SCHEMBL5553824 0.91 MEN1 (0.35) AKR1C3AKR1C2APPPTGS2SLC22A12
SCHEMBL5553827 0.91 MEN1 (0.35) AKR1C3AKR1C2APPPTGS2SLC22A12
SCHEMBL5813878 0.89 TACR3 (0.34) MAOBAKR1C3AKR1C2APPTACR3
SCHEMBL5813881 0.89 TACR3 (0.34) MAOBAKR1C3AKR1C2APPTACR3

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 MAOB 181/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 MAOB 57/4885AKR1C3 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.