SCHEMBL5558855

SCHEMBL5558855

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS2 P35354 8/20 0.32
PTGS1 P23219 2/20 0.32
AKR1C3 P42330 2/20 0.32
AKR1C2 P52895 2/20 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
DPP4 P27487 1/20 0.31
HPGD P15428 1/20 0.30

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
SCHEMBL5558863 1.00 MEN1 (0.32) MEN1KMT2APTGS2PTGS1AKR1C3
SCHEMBL5554414 0.93 AKR1C3 (0.35) MEN1KMT2APTGS2PTGS1AKR1C3
SCHEMBL5554418 0.93 AKR1C3 (0.35) MEN1KMT2APTGS2PTGS1AKR1C3
SCHEMBL5554412 0.93 AKR1C3 (0.35) MEN1KMT2APTGS2PTGS1AKR1C3
SCHEMBL5798914 0.93 PTGS2 (0.36) MEN1KMT2APTGS2PTGS1AKR1C3
SCHEMBL5555237 0.93 MAOB (0.32) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5555247 0.93 MAOB (0.32) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6423161 0.92 AKR1C3 (0.40) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL6423166 0.92 AKR1C3 (0.40) PTGS2PTGS1AKR1C3AKR1C2
SCHEMBL5561209 0.91 HPGD (0.35) PTGS2PTGS1AKR1C3AKR1C2HPGD

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 MEN1 4484/4885KMT2A 1430/4885PTGS2 3/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 MEN1 3824/4885KMT2A 1519/4885PTGS2 4/4885

“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.