SCHEMBL8225831

SCHEMBL8225831

C[C@H](N)C(=O)SCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1)C(=O)c1ccc(Cl)s1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.65
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 2/20 0.61
CYP2D6 P10635 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2J2 P51589 1/20 0.61
ABCB11 O95342 1/20 0.55
F2 P00734 1/20 0.55
ST14 Q9Y5Y6 1/20 0.55

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
Hydrochloric Acid SCHEMBL3755210 0.99 F10 (0.64) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8227960 0.95 F10 (0.62) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3752839 0.95 F10 (0.61) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8225121 0.93 F10 (0.63) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8225270 0.92 F10 (0.59) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3071751 0.92 F10 (0.56) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3749899 0.92 F10 (0.59) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3262703 0.91 F10 (0.56) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8219696 0.91 F10 (0.65) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3756776 0.90 F10 (0.64) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362015-B2 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-29 US disclosed
US-8362015-B2 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-01-29 US disclosed
EP-2084154-B1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER IP GMBH (DE) 2012-11-21 EP disclosed
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-18 US disclosed
US-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-11-18 US disclosed
WO-2008022786-A1 AMINOACYL PRODRUG DERIVATIVES AND MEDICAMENTS FOR TREATMENT OF THROMBOEMBOLIC DISORDERS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-02-28 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-20100292230-A1 Aminoacyl prodrug derivatives and medicaments for treatment of thromboembolic disorders AADAC, AADAT, DNPEP F10 607/4885CYP1A2 122/4885CYP3A4 175/4885

“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.