SCHEMBL5558724

SCHEMBL5558724

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

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PTGS2 P35354 1/20 0.32
HPGD P15428 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL5555053 0.94 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2CA1CA2
SCHEMBL5554443 0.91 AKR1C3 (0.43) AKR1C3AKR1C2PTGS2
SCHEMBL5553918 0.91 AKR1C3 (0.35) AKR1C3AKR1C2PTGS2KMT2A
SCHEMBL5560919 0.89 AKR1C3 (0.33) AKR1C3AKR1C2PTGS2CA1CA2
SCHEMBL5558655 0.89 AKR1C3 (0.36) AKR1C3AKR1C2PTGS2HPGDCA1
SCHEMBL5558566 0.88 PLA2G2A (0.35) AKR1C3AKR1C2PTGS2HPGDKMT2A
SCHEMBL5560925 0.87 PIK3CD (0.35) AKR1C3AKR1C2TSHR
SCHEMBL5554621 0.85 HPGD (0.33) AKR1C3AKR1C2HPGDTSHRKMT2A
SCHEMBL5554617 0.85 HPGD (0.33) AKR1C3AKR1C2HPGDTSHRKMT2A
SCHEMBL5554605 0.85 AKR1C3 (0.36) AKR1C3AKR1C2PTGS2HPGDCA1

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
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-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 (1 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 AKR1C3 585/4885AKR1C2 342/4885PTGS2 3/4885

“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.