SCHEMBL5558588

SCHEMBL5558588

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

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.35
AKR1C3 P42330 3/20 0.33
AKR1C2 P52895 3/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
PTGS2 P35354 7/20 0.32
PTGS1 P23219 1/20 0.32
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 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
SCHEMBL6438924 0.95 AKR1C3 (0.33) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5560989 0.92 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5561082 0.92 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL6423461 0.91 AKR1C3 (0.34) AKR1C3AKR1C2PTGS2PTGS1
SCHEMBL5797735 0.90 HPGD (0.35) HPGDAKR1C3AKR1C2GRNSORT1
SCHEMBL5554178 0.90 HPGD (0.34) HPGDAKR1C3AKR1C2GRNSORT1
SCHEMBL5554184 0.90 HPGD (0.34) HPGDAKR1C3AKR1C2GRNSORT1
SCHEMBL5554188 0.90 HPGD (0.34) HPGDAKR1C3AKR1C2GRNSORT1
SCHEMBL5561209 0.89 HPGD (0.35) HPGDAKR1C3AKR1C2GRNSORT1
SCHEMBL5561212 0.89 HPGD (0.35) HPGDAKR1C3AKR1C2GRNSORT1

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 HPGD 28/4885AKR1C3 585/4885AKR1C2 342/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 HPGD 15/4885AKR1C3 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.