SCHEMBL6426767

SCHEMBL6426767

Cc1c([C@](C)(C(=O)O)C(C)(C)C)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.41
AKR1C2 P52895 4/20 0.41
PLA2G7 Q13093 1/20 0.36
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
NPC1 O15118 2/20 0.35
TSHR P16473 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
RAB9A P51151 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 3/20 0.34
MAPK1 P28482 1/20 0.33
KCNH2 Q12809 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
SCHEMBL6426719 0.91 AKR1C3 (0.42) AKR1C3AKR1C2PLA2G7MAPTSMN1; SMN2
SCHEMBL6423897 0.90 ALDH1A1 (0.36) AKR1C3AKR1C2MAPTSMN1; SMN2KMT2A
SCHEMBL6425579 0.88 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G7MAPTSMN1; SMN2
SCHEMBL6424253 0.87 AKR1C3 (0.39) AKR1C3AKR1C2PLA2G7MAPTSMN1; SMN2
SCHEMBL6423956 0.87 AKR1C3 (0.41) AKR1C3AKR1C2PLA2G7MAPTSMN1; SMN2
SCHEMBL6425830 0.86 MEN1 (0.35) AKR1C3AKR1C2KMT2AHPGDHTT
SCHEMBL6428308 0.85 AKR1C3 (0.40) AKR1C3AKR1C2PLA2G7MAPTSMN1; SMN2
SCHEMBL6423799 0.84 ABCB11 (0.36) AKR1C3AKR1C2HPGDHTTTSHR
SCHEMBL6459865 0.84 AKR1C3 (0.35) AKR1C3AKR1C2MAPTKMT2AKDM4E
SCHEMBL6424265 0.84 AKR1C3 (0.37) AKR1C3AKR1C2PLA2G7MAPTSMN1; SMN2

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 1 patent. 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

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-20050234244-A1 Synthesis of COX-2 and FAAH inhibitors FAAH2, FAAH, PTGES2 AKR1C3 577/4885AKR1C2 563/4885PLA2G7 33/4885

“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.