SCHEMBL5808237

SCHEMBL5808237

Cc1c(C(C)C(=O)NCCC(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 4/20 0.38
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
GLI1 P08151 2/20 0.33
GLI2 P10070 2/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
GCGR P47871 1/20 0.33
CTSL P07711 1/20 0.33

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
SCHEMBL5808234 1.00 AKR1C3 (0.38) AKR1C3AKR1C2KDM4EMAPTHPGD
SCHEMBL5558889 0.91 CCKBR (0.38) AKR1C3AKR1C2GCGR
SCHEMBL5558899 0.91 CCKBR (0.38) AKR1C3AKR1C2GCGR
SCHEMBL5553788 0.91 AKR1C3 (0.39) AKR1C3AKR1C2KDM4EMAPTHPGD
SCHEMBL5553778 0.91 AKR1C3 (0.39) AKR1C3AKR1C2KDM4EMAPTHPGD
SCHEMBL5553782 0.91 AKR1C3 (0.39) AKR1C3AKR1C2KDM4EMAPTHPGD
SCHEMBL5553952 0.89 KDM4E (0.37) AKR1C3AKR1C2KDM4EMAPTHPGD
SCHEMBL5553954 0.89 KDM4E (0.37) AKR1C3AKR1C2KDM4EMAPTHPGD
SCHEMBL5559500 0.89 AKR1C3 (0.36) AKR1C3AKR1C2SMN1; SMN2HSD17B10TSHR
SCHEMBL5559505 0.89 AKR1C3 (0.36) AKR1C3AKR1C2SMN1; SMN2HSD17B10TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006050120-A2 SYNTHESIS OF COX-2 AND FAAH INHIBITORS MICROBIA, INC. (US) 2006-05-11 WO 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

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 AKR1C3 585/4885AKR1C2 342/4885KDM4E 1786/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885KDM4E 2209/4885

“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.