SCHEMBL47676

SCHEMBL47676

CC(C(=O)C(C)(C)C)N(C)C(=O)N(C)CCN(C)C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.33
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA3 P07451 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30
CA5A P35218 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL47658 0.81 PRMT3 (0.32)
SCHEMBL18735636 0.72 KMT2A (0.36) CYP2C19CA12CA2CA9
SCHEMBL13667603 0.69
SCHEMBL18251218 0.69 CA12 (0.38) CA12CA2CA3CA4CA6
SCHEMBL20806106 0.68 GAA (0.40)
SCHEMBL8137111 0.68 RIPK1 (0.41) CYP2C19CA12CA2CA3CA4
SCHEMBL19069324 0.67 CYP2C19 (0.44) CYP2C19
SCHEMBL8908706 0.67 POLB (0.30)
SCHEMBL26723220 0.67 POLB (0.30)
SCHEMBL16812985 0.67 CA12 (0.45) CA12CA2CA3CA4CA6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate ASCENDIS PHARMA A/S (DK) 2017-04-13 US disclosed
US-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 2015-02-26 US disclosed
US-8906847-B2 Prodrug comprising a drug linker conjugate ASCENDIS PHARMA A/S (DK) 2014-12-09 US disclosed
US-20120058084-A1 Interferon Alpha Carrier Prodrugs ASCENDIS PHARMA AS (DK) 2012-03-08 US disclosed
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE ASCENDIS PHARMA AS (DK) 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 (4 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-20150057221-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 CYP2C19 212/4885CA12 624/4885CA2 887/4885
US-20170100490-A1 Prodrug Comprising a Drug Linker Conjugate H1-0, H1-3, H1-2 CYP2C19 212/4885CA12 624/4885CA2 887/4885
US-20110053848-A1 PRODRUG COMPRISING A DRUG LINKER CONJUGATE H1-0, H1-3, H1-2 CYP2C19 212/4885CA12 607/4885CA2 848/4885
US-20120058084-A1 Interferon Alpha Carrier Prodrugs IFNG, IFNAR1, IRF3 CYP2C19 98/4885CA12 3101/4885CA2 3625/4885

“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.