SCHEMBL6426762

SCHEMBL6426762

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
LMNA P02545 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
ELANE P08246 1/20 0.33
KCNH2 Q12809 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ALDH1A1 P00352 3/20 0.32
GAA P10253 1/20 0.32

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
SCHEMBL6423892 0.91 AKR1C3 (0.35) AKR1C3AKR1C2SMN1; SMN2MEN1KMT2A
SCHEMBL6426451 0.89 AKR1C3 (0.40) AKR1C3AKR1C2SMN1; SMN2MAPTKDM4E
SCHEMBL6426717 0.89 AKR1C3 (0.40) AKR1C3AKR1C2SMN1; SMN2MAPTKDM4E
SCHEMBL6425577 0.88 AKR1C3 (0.38) AKR1C3AKR1C2SMN1; SMN2MAPTLMNA
SCHEMBL6423954 0.88 AKR1C3 (0.39) AKR1C3AKR1C2SMN1; SMN2MAPTKDM4E
SCHEMBL6422820 0.88 AKR1C3 (0.39) AKR1C3AKR1C2SMN1; SMN2MAPTKDM4E
SCHEMBL6425828 0.88 AKR1C3 (0.34) AKR1C3AKR1C2MEN1KMT2A
SCHEMBL6424251 0.88 AKR1C3 (0.39) AKR1C3AKR1C2SMN1; SMN2MAPTKDM4E
SCHEMBL6424501 0.86 AKR1C3 (0.38) AKR1C3AKR1C2SMN1; SMN2MAPTKDM4E
SCHEMBL6428306 0.86 AKR1C3 (0.38) AKR1C3AKR1C2SMN1; SMN2MAPTKDM4E

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 563/4885SMN1; SMN2 4408/4885

“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.