SCHEMBL5889846

SCHEMBL5889846

CC(C)CCn1cc(NC(=O)c2ccc3[nH]c(C(=O)Nc4cc(C(=O)NCCCCC(=N)N)n(CCC(C)C)c4)cc3c2)cc1C(=O)NCCCCC(=N)N

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HRAS P01112 4/20 0.54
ESR1 P03372 4/20 0.54
ESR2 Q92731 4/20 0.54
ITGB3 P05106 16/20 0.51
ITGA2B P08514 16/20 0.51

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
SCHEMBL5889621 0.98 HRAS (0.54) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5677699 0.93 HRAS (0.50) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896881 0.93 HRAS (0.51) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6486747 0.89 HRAS (0.46) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5896872 0.89 HRAS (0.46) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6489771 0.87 HRAS (0.47) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL6779947 0.83 HRAS (0.52) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5889526 0.83 HRAS (0.53) HRASESR1ESR2
SCHEMBL5889688 0.81 HRAS (0.41) HRASESR1ESR2ITGB3ITGA2B
SCHEMBL5889576 0.81 HRAS (0.45) HRASESR1ESR2ITGB3ITGA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7064218-B2 Aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2006-06-20 US disclosed
US-6906103-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-06-14 US disclosed
US-6849713-B2 Compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. (US) 2005-02-01 US disclosed
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity GLAXOSMITHKLINE LLC 2003-11-13 US disclosed
WO-2003057212-A1 POLYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-07-17 WO disclosed
US-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity SMITHKLINE BEECHAM CORPORATION 2003-06-26 US disclosed
EP-1294713-A2 COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2003-03-26 EP disclosed
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity GENELABS TECHNOLOGIES, INC. 2002-03-28 US disclosed
WO-2002000650-A2 NOVEL COMPOUNDS POSSESSING ANTIBACTERIAL, ANTIFUNGAL OR ANTITUMOR ACTIVITY GENELABS TECHNOLOGIES, INC. (US) 2002-01-03 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 (3 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-20030119749-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRAS 402/4885ESR1 4097/4885ESR2 3377/4885
US-20020037856-A1 Novel compounds possessing antibacterial, antifungal or antitumor activity CYP51A1, MCL1, ERG28 HRAS 402/4885ESR1 4097/4885ESR2 3377/4885
US-20030212113-A1 Novel aromatic compounds and poly(oxyalkylene) containing aromatic compounds possessing antibacterial, antifungal or antitumor activity TYR, CYP51A1, ODC1 HRAS 1040/4885ESR1 4541/4885ESR2 4085/4885

“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.