Sugi Predict

Sugi Predict / Compounds / SCHEMBL1733592

SCHEMBL1733592

SCHEMBL1733592

CCN(CC)c1nc(C(N)=O)cc(-c2ccc(S(=O)(=O)CC)cc2)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.71
▸ PLK4 O00444 1/20 0.40
▸ AURKA O14965 1/20 0.40
▸ ROCK2 O75116 1/20 0.40
▸ CHEK2 O96017 1/20 0.40
▸ PIM1 P11309 1/20 0.40
▸ CDK2 P24941 1/20 0.40
▸ FLT4 P35916 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAPK8 P45983 1/20 0.40
▸ MAPK9 P45984 1/20 0.40
▸ CSNK1D P48730 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ LIMK1 P53667 1/20 0.40
▸ CSNK2A1 P68400 1/20 0.40
▸ CDK5 Q00535 1/20 0.40
▸ ROCK1 Q13464 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ PRKD2 Q9BZL6 1/20 0.40

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
SCHEMBL1735810 0.85 KDM4E (0.78) KDM4ECHEK2MEN1KMT2AALDH1A1
SCHEMBL1734448 0.84 KDM4E (0.76) KDM4ECHEK2MEN1KMT2AALDH1A1
SCHEMBL1734337 0.84 KDM4E (0.76) KDM4EALDH1A1HPGDSCN9A
SCHEMBL1733735 0.84 KDM4E (0.76) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1733607 0.83 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1734177 0.81 KDM4E (0.73) KDM4ELIMK1DYRK1AMEN1KMT2A
SCHEMBL1733472 0.81 KDM4E (0.73) KDM4EMEN1KMT2AALDH1A1HPGD
SCHEMBL1734231 0.81 KDM4E (0.71) KDM4EMEN1KMT2ACASP1SCN9A
SCHEMBL1734269 0.81 KDM4E (0.71) KDM4ECHEK2ALDH1A1HPGDLMNA
SCHEMBL1734327 0.80 KDM4E (0.70) KDM4ECHEK2MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US claimed
EP-1891018-B1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2011-11-16 — — EP claimed
WO-2011131686-A1 A THERMALLY CONTROLLED ASSEMBLY NAPATECH A/S (DK) 2011-10-27 — — WO claimed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — US claimed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-8822451-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-02 — — US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — US disclosed
US-20070105833-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-05-10 — — 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-20070105833-A1 Modulators of ATP-binding cassette transporters ABCC4, CFTR, ABCC2 KDM4E 3910/4885PLK4 4212/4885AURKA 3254/4885

“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.