SCHEMBL6424262

SCHEMBL6424262

Cc1c([C@H](CC2CCC2)C(=O)O)c2c(F)c(O)ccc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
USP2 O75604 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
ALDH1A1 P00352 3/20 0.34
PIK3CD O00329 1/20 0.33
MAPT P10636 2/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PLA2G7 Q13093 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
SCHEMBL6426519 0.98 TDP1 (0.37) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6426870 0.90 METAP2 (0.36) AKR1C3AKR1C2KDM4EMEN1KMT2A
SCHEMBL6425046 0.89 USP2 (0.35) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6424324 0.89 MEN1 (0.32) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL6424977 0.87 TDP1 (0.36) AKR1C3AKR1C2USP2TDP1KDM4E
SCHEMBL6428230 0.87 TSHR (0.34) AKR1C3AKR1C2ALDH1A1HPGDTSHR
SCHEMBL6426850 0.87 USP30 (0.33) AKR1C3AKR1C2LMNAMEN1KMT2A
SCHEMBL6460405 0.86 AKR1C3 (0.33) AKR1C3AKR1C2
SCHEMBL6426451 0.86 AKR1C3 (0.40) AKR1C3AKR1C2USP2KDM4ELMNA
SCHEMBL6426717 0.86 AKR1C3 (0.40) AKR1C3AKR1C2USP2KDM4ELMNA

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 563/4885USP2 156/4885

“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.