SCHEMBL2853525

SCHEMBL2853525

CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.45
TDP1 Q9NUW8 8/20 0.45
POLB P06746 5/20 0.45
NPSR1 Q6W5P4 6/20 0.43
ATM Q13315 2/20 0.43
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 2/20 0.41
TACR1 P25103 2/20 0.41
PAX8 Q06710 2/20 0.41
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL27608994 1.00 MAPT (0.45) MAPTTDP1POLBNPSR1ATM
SCHEMBL7276364 0.94 KLK5 (0.44) MAPTTDP1POLBNPSR1ATM
SCHEMBL1486139 0.94 KLK5 (0.44) MAPTTDP1POLBNPSR1ATM
SCHEMBL8488194 0.90 CTSS (0.39) TACR1
SCHEMBL214303 0.90 ITGB3 (0.48)
SCHEMBL214302 0.90 ITGB3 (0.48)
SCHEMBL1133305 0.90 ITGB3 (0.48)
SCHEMBL9767869 0.88 REN (0.44)
SCHEMBL7547141 0.88 CTSS (0.39) TACR1
SCHEMBL27507948 0.88 REN (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110857286-B Preparation method of micromolecule yNA with biological activity 上海交通大学 2022-12-09 CN disclosed
US-7771727-B2 Conjugates of therapeutic or cytotoxic agents and biologically active peptides THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2010-08-10 US disclosed
EP-1487493-B1 CONJUGATES OF CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES UNIV TULANE (US) 2010-01-20 EP disclosed
US-20090324620-A1 CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2009-12-31 US disclosed
EP-1487493-A4 CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES UNIV TULANE (US) 2006-08-30 EP disclosed
US-20060009622-A1 Conjugates of therapeutic or cytotoxic agents and biologically active peptides ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND, THE 2006-01-12 US disclosed
EP-1487493-A2 CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES The Administrators of The Tulane Educational Fund (US) 2004-12-22 EP disclosed
WO-2003074551-A2 CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES THE ADMINISTRATORS OF THE TULANE EDUCATIONAL FUND (US) 2003-09-12 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 (2 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-20090324620-A1 CONJUGATES OF THERAPEUTIC OR CYTOTOXIC AGENTS AND BIOLOGICALLY ACTIVE PEPTIDES MCL1, DNPEP, TP53 MAPT 3921/4885TDP1 1602/4885POLB 2206/4885
US-20060009622-A1 Conjugates of therapeutic or cytotoxic agents and biologically active peptides MCL1, DNPEP, TP53 MAPT 3921/4885TDP1 1602/4885POLB 2206/4885

“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.