SCHEMBL6423736

SCHEMBL6423736

Cc1c([C@H](C)C(=O)NCCC(=O)O)c2cc(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.39
AKR1C2 P52895 4/20 0.39
SRC P12931 1/20 0.36
CTSL P07711 1/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
ELANE P08246 2/20 0.33
GPR139 Q6DWJ6 1/20 0.33
KCNH2 Q12809 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL6423746 1.00 AKR1C3 (0.39) AKR1C3AKR1C2SRCCTSLKDM4E
SCHEMBL5559177 0.91 CCKBR (0.38) AKR1C3AKR1C2
SCHEMBL5559187 0.91 CCKBR (0.38) AKR1C3AKR1C2
SCHEMBL5798826 0.91 AKR1C3 (0.40) AKR1C3AKR1C2SRCCTSLKDM4E
SCHEMBL5800856 0.91 AKR1C3 (0.36) AKR1C3AKR1C2SRCCTSLKDM4E
SCHEMBL5798830 0.91 AKR1C3 (0.40) AKR1C3AKR1C2SRCCTSLKDM4E
SCHEMBL5798836 0.91 AKR1C3 (0.40) AKR1C3AKR1C2SRCCTSLKDM4E
SCHEMBL5560659 0.89 AKR1C3 (0.38) AKR1C3AKR1C2SRC
SCHEMBL5560652 0.89 AKR1C3 (0.38) AKR1C3AKR1C2SRC
SCHEMBL6422490 0.89 ELANE (0.37) AKR1C3AKR1C2SRCCTSLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 342/4885SRC 3883/4885
US-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885SRC 3467/4885

“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.