SCHEMBL16377259

SCHEMBL16377259

CC(=O)/C=C\N(C(C)=O)[C@@H]1O[C@@](COC(=O)c2ccccc2)(N=[N+]=[N-])[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.33
▸ ABCB1 P08183 7/20 0.32
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PTPN1 P18031 1/20 0.31

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
SCHEMBL16214943 1.00 MAPT (0.33) MAPTABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL15250846 0.92 CYP1A2 (0.31) ABCB1CYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL16214949 0.82 ABCB1 (0.33) ABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL17863951 0.80 MAPT (0.35) MAPTABCB1
SCHEMBL16214951 0.74 ABCB1 (0.32) ABCB1
SCHEMBL17359834 0.73 ABCB1 (0.31) MAPTABCB1
SCHEMBL17359833 0.73 ABCB1 (0.31) MAPTABCB1
SCHEMBL13523562 0.73 PTPN1 (0.36) MAPTABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL13523774 0.73 PTPN1 (0.36) MAPTABCB1CYP1A2CYP2C9CYP2C19
SCHEMBL15095554 0.71 USP2 (0.45) CYP1A2CYP2C9PTPN1

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-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF Janssen Pharmaceuticals, Inc. 2015-01-08 — — 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-20150011497-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF PNP, NUDT1, NT5C3B MAPT 2729/4885ABCB1 733/4885CYP1A2 2032/4885

“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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