SCHEMBL14351072

SCHEMBL14351072

CC/N=c1\ccc2c(-c3ccc(S(=O)(=O)NCCOCCOCCOCC)c(S(=O)(=O)O)c3)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ USP2 O75604 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ AVPR2 P30518 2/20 0.35
▸ SLC6A4 P31645 4/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ CHRM1 P11229 2/20 0.34
▸ GPR84 Q9NQS5 6/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 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
SCHEMBL18465895 0.84 MEN1 (0.45) MEN1KMT2AUSP2POLBPPARG
SCHEMBL13286886 0.76 MEN1 (0.63) MEN1KMT2AUSP2POLBPPARG
SCHEMBL12832288 0.76 MEN1 (0.55) MEN1KMT2AUSP2POLBPPARG
SCHEMBL14693179 0.74 MEN1 (0.53) MEN1KMT2AUSP2POLBPPARG
SCHEMBL17814732 0.72 MEN1 (0.49) MEN1KMT2AUSP2POLBPPARG
SCHEMBL15200494 0.72 MEN1 (0.63) MEN1KMT2AUSP2POLBPPARG
SCHEMBL14553429 0.71 MEN1 (0.44) MEN1KMT2AUSP2POLBPPARG
SCHEMBL14553400 0.69 MEN1 (0.43) MEN1KMT2AUSP2POLBPPARG
SCHEMBL18534248 0.69 MEN1 (0.45) MEN1KMT2AUSP2POLBPPARG
SCHEMBL15100480 0.69 ABCB1 (0.53) MEN1KMT2AUSP2POLBPPARG

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-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy VANDERBILT UNIVERSITY (US) 2007-12-20 — — 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-20070292352-A1 derivatives of non-steroidal anti-inflammatory drugs that exhibit selective binding to cyclooxygenase-2 (COX-2) and that comprise functional groups allowing them to be used for medical diagnosis and/or as therapeutic agents; tissue-targeted therapy PTGES2, PTGS2, PTGER2 MEN1 4291/4885KMT2A 4709/4885USP2 2631/4885

“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.

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