SCHEMBL6424944

SCHEMBL6424944

Cc1c([C@](C)(C(=O)O)C(C)C)c2c(F)c(O)c(F)cc2n1C(=O)c1cccc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.37
AKR1C2 P52895 2/20 0.37
PIK3CD O00329 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G7 Q13093 1/20 0.33
NPY2R P49146 1/20 0.33
NOTUM Q6P988 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
CHRNB2 P17787 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
SCHEMBL6422614 0.91 ALDH1A1 (0.37) AKR1C3AKR1C2ALDH1A1LMNANOTUM
SCHEMBL6422620 0.91 AKR1C3 (0.37) AKR1C3AKR1C2PIK3CDALDH1A1GAA
SCHEMBL6426060 0.88 CHRNA1 (0.35) AKR1C3AKR1C2CHRNB2SLC6A2CHRNB4
SCHEMBL6428613 0.88 AKR1C3 (0.39) AKR1C3AKR1C2ALDH1A1GAATSHR
SCHEMBL6424253 0.87 AKR1C3 (0.39) AKR1C3AKR1C2PIK3CDALDH1A1GAA
SCHEMBL6425887 0.86 AKR1C3 (0.32) AKR1C3AKR1C2ALDH1A1TSHRNOTUM
SCHEMBL6451617 0.86 RORC (0.33) AKR1C3AKR1C2
SCHEMBL6423973 0.86 AKR1C3 (0.41) AKR1C3AKR1C2LMNAKDM4EMAPT
SCHEMBL6425579 0.86 AKR1C3 (0.38) AKR1C3AKR1C2ALDH1A1GAATSHR
SCHEMBL6423814 0.85 AKR1C3 (0.39) AKR1C3AKR1C2ALDH1A1GAATSHR

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 563/4885PIK3CD 2741/4885

“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.