SCHEMBL6425950

SCHEMBL6425950

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PLA2G7 Q13093 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NOTUM Q6P988 1/20 0.34
ELANE P08246 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PIK3CD O00329 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
SCHEMBL6423708 0.90 AKR1C3 (0.35) AKR1C3AKR1C2SMN1; SMN2KMT2AMEN1
SCHEMBL6425225 0.87 AKR1C3 (0.38) AKR1C3AKR1C2PLA2G7SMN1; SMN2KMT2A
SCHEMBL6425693 0.87 MEN1 (0.34) AKR1C3AKR1C2KMT2AMEN1CES2
SCHEMBL6422844 0.87 AKR1C3 (0.39) AKR1C3AKR1C2PLA2G7SMN1; SMN2KMT2A
SCHEMBL5547108 0.87 AKR1C3 (0.40) AKR1C3AKR1C2PLA2G7SMN1; SMN2KMT2A
SCHEMBL5554693 0.87 AKR1C3 (0.40) AKR1C3AKR1C2PLA2G7SMN1; SMN2KMT2A
SCHEMBL5557670 0.87 AKR1C3 (0.40) AKR1C3AKR1C2PLA2G7SMN1; SMN2KMT2A
SCHEMBL6426762 0.85 AKR1C3 (0.40) AKR1C3AKR1C2PLA2G7SMN1; SMN2KMT2A
SCHEMBL6424198 0.85 ABCB11 (0.35) AKR1C3AKR1C2TSHRHPGDNOTUM
SCHEMBL6424427 0.84 AKR1C3 (0.34) AKR1C3AKR1C2

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.