SCHEMBL12486707

SCHEMBL12486707

Cc1cc(/N=N/c2ccc(S(=O)(=O)O)cc2)c(C)c(C)c1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 1/20 0.67
▸ PHLPP2 Q6ZVD8 4/20 0.58
▸ POLB P06746 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 3/20 0.50
▸ MAPK1 P28482 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ GAA P10253 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ PSMD14 O00487 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MMP2 P08253 1/20 0.50
▸ THRB P10828 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ BRD4 O60885 5/20 0.48
▸ BRD3 Q15059 2/20 0.46
▸ CREBBP Q92793 1/20 0.46
▸ BAZ2B Q9UIF8 1/20 0.46
▸ ATIC P31939 1/20 0.45

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
SCHEMBL12486710 1.00 RPS6KA3 (0.67) RPS6KA3PHLPP2POLBCYP2D6MAPT
SCHEMBL8844924 0.83 RPS6KA3 (0.64) RPS6KA3PHLPP2POLBCYP2D6MAPT
SCHEMBL8844931 0.83 RPS6KA3 (0.64) RPS6KA3PHLPP2POLBCYP2D6MAPT
SCHEMBL8843743 0.82 PHLPP2 (0.75) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL8843749 0.82 PHLPP2 (0.75) RPS6KA3PHLPP2POLBCYP2D6BRD4
SCHEMBL12486691 0.82 RPS6KA3 (0.62) RPS6KA3PHLPP2POLBCYP2D6MAPT
SCHEMBL12486693 0.82 RPS6KA3 (0.62) RPS6KA3PHLPP2POLBCYP2D6MAPT
SCHEMBL9711553 0.80 RPS6KA3 (1.00) RPS6KA3PHLPP2POLBCYP2D6MAPT
SCHEMBL7521259 0.78 RPS6KA3 (0.58) RPS6KA3PHLPP2POLBCYP2D6MAPT
SCHEMBL7534490 0.78 RPS6KA3 (0.58) RPS6KA3PHLPP2POLBCYP2D6MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ICAHN SCHOOL OF MEDICINE AT MOUNT SINAI (US) 2014-03-06 — — US disclosed
EP-2677865-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION Icahn School of Medicine at Mount Sinai (US) 2014-01-01 — — EP disclosed
WO-2012116170-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION ZHOU MING-MING (US) 2012-08-30 — — WO 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-20140066410-A1 INHIBITORS OF BROMODOMAINS AS MODULATORS OF GENE EXPRESSION NFKBIA, NFKB2, IKBKG RPS6KA3 1654/4885PHLPP2 1158/4885POLB 96/4885

“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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