SCHEMBL2076256

SCHEMBL2076256

NCCCN(CCC(Cc1ccccc1)NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.56
ITGB3 P05106 4/20 0.49
ITGA2B P08514 4/20 0.49
ECE1 P42892 1/20 0.46
CYP3A4 P08684 2/20 0.44
CTSL P07711 2/20 0.44
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
TPSAB1 Q15661 1/20 0.43
TACR1 P25103 2/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
MMP8 P22894 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL2074343 0.95 CTRB1 (0.51) CTRB1ITGB3ITGA2BECE1CYP3A4
SCHEMBL4890831 0.83 CTRB1 (0.64) CTRB1ITGB3ITGA2BECE1CTSL
SCHEMBL3770984 0.79 HTT (0.59)
SCHEMBL6318726 0.78 CTRB1 (0.74) CTRB1ITGB3ITGA2BCYP3A4CTSL
SCHEMBL6320787 0.78 CTRB1 (0.74) CTRB1ITGB3ITGA2BCYP3A4CTSL
SCHEMBL6318717 0.78 CTRB1 (0.74) CTRB1ITGB3ITGA2BCYP3A4CTSL
SCHEMBL2076562 0.78 HTT (0.45) ITGB3ITGA2B
SCHEMBL19386326 0.77 CTRB1 (0.57) CTRB1ITGB3ITGA2BECE1CTSL
SCHEMBL6093916 0.77 CTRB1 (0.72) CTRB1CYP3A4CTSLTACR1CTSB
SCHEMBL6093920 0.77 CTRB1 (0.72) CTRB1CYP3A4CTSLTACR1CTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216989-B2 (Poly) aminoacetamide derivatives of epipodophyllotoxin their process of preparation and their applications in therapeutics as anticancer agents PIERRE FABRE MEDICAMENT (FR) 2015-12-22 US disclosed
US-20110053967-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS IMBERT THIERRY 2011-03-03 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-20110053967-A1 (POLY) AMINOACETAMIDE DERIVATIVES OF EPIPODOPHYLLOTOXIN THEIR PROCESS OF PREPARATION AND THEIR APPLICATIONS IN THERAPEUTICS AS ANTICANCER AGENTS NPEPPS, PTMA, PARN CTRB1 3136/4885ITGB3 1549/4885ITGA2B 1086/4885

“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.