SCHEMBL5554178

SCHEMBL5554178

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
GPR139 Q6DWJ6 1/20 0.33
SHMT1 P34896 1/20 0.33
SHMT2 P34897 1/20 0.33
HIF1A Q16665 4/20 0.33
PTGS1 P23219 2/20 0.32
PTGS2 P35354 2/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
GRN P28799 1/20 0.32
SORT1 Q99523 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
MAPT P10636 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
SCHEMBL5554188 1.00 HPGD (0.34) HPGDAKR1C3AKR1C2GPR139SHMT1
SCHEMBL5554184 1.00 HPGD (0.34) HPGDAKR1C3AKR1C2GPR139SHMT1
SCHEMBL5558999 0.95 HIF1A (0.36) AKR1C3AKR1C2GPR139SHMT1SHMT2
SCHEMBL5561212 0.93 HPGD (0.35) HPGDAKR1C3AKR1C2GPR139PTGS1
SCHEMBL5561209 0.93 HPGD (0.35) HPGDAKR1C3AKR1C2GPR139PTGS1
SCHEMBL5813893 0.91 AKR1C3 (0.35) HPGDAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL5813883 0.91 AKR1C3 (0.35) HPGDAKR1C3AKR1C2PTGS1PTGS2
SCHEMBL6424639 0.91 AKR1C3 (0.43) AKR1C3AKR1C2HIF1APTGS1PTGS2
SCHEMBL6424633 0.91 AKR1C3 (0.43) AKR1C3AKR1C2HIF1APTGS1PTGS2
SCHEMBL5554414 0.91 AKR1C3 (0.35) AKR1C3AKR1C2SHMT1SHMT2HIF1A

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 6 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-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.