SCHEMBL4588440

SCHEMBL4588440

Nc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)c(N=Nc3ccccc3)c(C=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.54
▸ CYP1A2 P05177 3/20 0.52
▸ SUMO2 P61956 3/20 0.51
▸ SUMO1 P63165 3/20 0.51
▸ SENP7 Q9BQF6 3/20 0.51
▸ SENP2 Q9HC62 3/20 0.51
▸ ENPP2 Q13822 6/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ HTT P42858 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ CYP2C9 P11712 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ DNASE1L3 Q13609 1/20 0.43
▸ NT5E P21589 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ PRMT1 Q99873 2/20 0.42
▸ PRMT3 O60678 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ PRMT6 Q96LA8 1/20 0.42

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
SCHEMBL29377534 0.86 PHLPP2 (0.70) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL113323 0.86 PHLPP2 (0.70) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL186095 0.86 PHLPP2 (0.70) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL344209 0.86 PHLPP2 (0.70) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL27752533 0.85 PHLPP2 (0.68) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL19513949 0.85 PHLPP2 (0.68) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL186093 0.85 PHLPP2 (0.68) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL10649599 0.80 ENPP2 (0.52) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL6559437 0.79 CYP1A2 (0.62) PHLPP2CYP1A2SUMO2SUMO1SENP7
SCHEMBL7624223 0.79 CYP1A2 (0.62) PHLPP2CYP1A2SUMO2SUMO1SENP7

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-20080112905-A1 Flavonoid Complexes MERCK PATENT GMBH (DE) 2008-05-15 — — 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-20080112905-A1 Flavonoid Complexes C9, C1R, CYC1 PHLPP2 2786/4885CYP1A2 343/4885SUMO2 1571/4885

“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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