SCHEMBL7821352

SCHEMBL7821352

Cc1cc(O)cc(C)c1/N=N/c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PHLPP2 Q6ZVD8 2/20 0.57
▸ POLB P06746 1/20 0.54
▸ CYP2D6 P10635 1/20 0.54
▸ RPS6KA3 P51812 1/20 0.54
▸ CYP2C9 P11712 2/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ MEN1 O00255 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ SUMO2 P61956 1/20 0.46
▸ SUMO1 P63165 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP2 Q9HC62 1/20 0.46
▸ LMNA P02545 2/20 0.46
▸ CDK1 P06493 2/20 0.45
▸ CDK2 P24941 2/20 0.45
▸ CA12 O43570 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA7 P43166 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
SCHEMBL7821353 1.00 PHLPP2 (0.57) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL8843743 0.81 PHLPP2 (0.75) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL8843749 0.81 PHLPP2 (0.75) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL16153076 0.81 MEN1 (0.64) RPS6KA3MEN1HSP90AA1KMT2AATM
SCHEMBL7813050 0.79 RPS6KA3 (0.63) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL7813054 0.79 RPS6KA3 (0.63) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL5359392 0.79 RPS6KA3 (0.56) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL4808253 0.79 LMNA (0.74) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL2171353 0.79 LMNA (0.74) PHLPP2POLBCYP2D6RPS6KA3CYP2C9
SCHEMBL28560987 0.78 POLB (0.83) PHLPP2POLBCYP2D6RPS6KA3CYP2C9

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 5 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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 — — EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 — — 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 PHLPP2 1158/4885POLB 96/4885CYP2D6 3147/4885

“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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