SCHEMBL6422650

SCHEMBL6422650

Cc1c(C(C(=O)O)C2CCCC2)c2cc(O)c(F)cc2n1C(=O)c1ccc(OC(F)F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 3/20 0.35
PTGS2 P35354 3/20 0.35
TSHR P16473 1/20 0.34
MDM2 Q00987 1/20 0.34
AKR1C3 P42330 2/20 0.34
AKR1C2 P52895 2/20 0.34
PPARG P37231 5/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARA Q07869 2/20 0.33
ABCB1 P08183 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
SCHEMBL6422766 0.98 MEN1 (0.35) MEN1KMT2AALDH1A1PTGS2TSHR
SCHEMBL6426555 0.90 PTGS2 (0.38) MEN1KMT2AALDH1A1PTGS2TSHR
SCHEMBL6425812 0.90 PTGS2 (0.37) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL6426909 0.89 KMT2A (0.35) MEN1KMT2AALDH1A1PTGS2MDM2
SCHEMBL6423904 0.89 AKR1C3 (0.37) MEN1KMT2AALDH1A1PTGS2AKR1C3
SCHEMBL6424855 0.89 PPARG (0.39) PTGS2AKR1C3AKR1C2PPARGPPARA
SCHEMBL6423670 0.89 PPARG (0.38) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL6426780 0.88 PPARG (0.37) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL5560725 0.88 PTGS2 (0.41) MEN1KMT2AALDH1A1PTGS2AKR1C3
SCHEMBL6426871 0.87 SRC (0.39) KMT2AALDH1A1PTGS2TSHRAKR1C3

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 1519/4885ALDH1A1 630/4885

“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.