SCHEMBL6425546

SCHEMBL6425546

Cc1c(C(C(=O)O)C(C)(C)C)c2cc(O)c(F)cc2n1C(=O)c1ccc(F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SRC P12931 3/20 0.34
CHRNA1 P02708 1/20 0.34
CHRNG P07510 1/20 0.34
CHRNB1 P11230 1/20 0.34
CHRNB2 P17787 1/20 0.34
SLC6A2 P23975 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA4 P43681 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CHRND Q07001 1/20 0.34
PRKACA P17612 2/20 0.34
PRKACG P22612 2/20 0.34
PRKACB P22694 2/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PTGS2 P35354 3/20 0.33
SLC22A12 Q96S37 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
SCHEMBL6423888 0.91 RORC (0.35) SRCPRKACAPRKACGPRKACBAKR1C3
SCHEMBL6423233 0.91 AKR1C3 (0.44) MEN1KMT2ASLC6A3AKR1C3AKR1C2
SCHEMBL6423421 0.91 AKR1C3 (0.39) SRCPRKACAPRKACGPRKACBAKR1C3
SCHEMBL6425556 0.91 BCL2 (0.40) SRCPRKACAPRKACGPRKACBAKR1C3
SCHEMBL6424837 0.89 AKR1C3 (0.34) SRCPRKACAPRKACGPRKACBAKR1C3
SCHEMBL6425460 0.89 SRC (0.41) SRCPRKACAPRKACGPRKACBAKR1C3
SCHEMBL6428320 0.88 SRC (0.36) MEN1KMT2ASRCCHRNA1CHRNG
SCHEMBL6428310 0.88 AKR1C3 (0.40) KMT2ASRCAKR1C3AKR1C2IGFBP3
SCHEMBL6425642 0.88 SRC (0.45) MEN1KMT2ASRCPRKACAPRKACG
SCHEMBL6424167 0.88 PTGS2 (0.45) MEN1KMT2ACHRNA1CHRNGCHRNB1

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 MEN1 3824/4885KMT2A 1519/4885SRC 3467/4885

“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.