SCHEMBL8096810

SCHEMBL8096810

CC(C)[C@H](N)C(=O)OCCCCC(=O)N(C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2F)C(=O)O1)C(=O)c1ccc(Cl)s1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.55
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
CYP2J2 P51589 1/20 0.51
ABCB11 O95342 1/20 0.45
F2 P00734 1/20 0.45
ST14 Q9Y5Y6 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
SCHEMBL8095314 0.92 F10 (0.58) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8094787 0.92 F10 (0.58) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8222636 0.92 F10 (0.63) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL2190585 0.92 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8097459 0.91 F10 (0.58) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13094617 0.90 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3067350 0.90 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3084069 0.90 F10 (0.57) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL3263779 0.90 F10 (0.54) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL8098336 0.90 F10 (0.63) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
US-20100273789-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-10-28 US disclosed
WO-2009007026-A1 AMINOACYL PRODRUGS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-01-15 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-20100273789-A1 AMINOACYL PRODRUGS AADAC, DNPEP, AADAT F10 735/4885CYP1A2 61/4885CYP3A4 65/4885

“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.