SCHEMBL10241525

SCHEMBL10241525

CC(C)c1cccc(C(C)C)c1OC(=O)[C@@H](CCCCNC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.48
ATM Q13315 2/20 0.48
NPSR1 Q6W5P4 8/20 0.47
MAPT P10636 5/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 4/20 0.47
KDM4E B2RXH2 2/20 0.47
KLK7 P49862 1/20 0.46
KLK5 Q9Y337 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PAX8 Q06710 1/20 0.45
SIRT5 Q9NXA8 1/20 0.44

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
SCHEMBL2678579 1.00 TDP1 (0.48) TDP1ATMNPSR1MAPTMEN1
SCHEMBL13463199 0.82 TDP1 (0.50) TDP1ATMNPSR1MAPTMEN1
SCHEMBL3160634 0.80 CA1 (0.45) TDP1MAPTMEN1KMT2AKDM4E
SCHEMBL12890798 0.79 MEN1 (0.52) TDP1ATMNPSR1MAPTMEN1
SCHEMBL31758256 0.79 TDP1 (0.61) TDP1ATMNPSR1MAPTMEN1
SCHEMBL19209668 0.78 EPHX2 (0.52) MAPTKDM4EALDH1A1
SCHEMBL19209670 0.78 EPHX2 (0.52) MAPTKDM4EALDH1A1
SCHEMBL5024804 0.78 MEN1 (0.55) TDP1ATMNPSR1MAPTMEN1
SCHEMBL3170771 0.78 SCN5A (0.53) CA1CA2
SCHEMBL7549143 0.77 KLK7 (0.64) TDP1NPSR1MAPTMEN1KMT2A

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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R&D HOLDINGS, LLC (US) 2012-11-15 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
US-8173840-B2 Compounds with high therapeutic index SIGNATURE R&D HOLDINGS, LLC (US) 2012-05-08 US disclosed
WO-2007089745-A2 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX SIGNATURE R & D HOLDINGS, LLC (US) 2007-08-09 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-20120289471-A1 NOVEL COMPOUNDS WITH HIGH THERAPEUTIC INDEX IL4I1, SLC7A1, GOT1 TDP1 3547/4885ATM 4813/4885NPSR1 1385/4885

“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.