SCHEMBL13660676

SCHEMBL13660676

CC(C)(C)C(=O)NCCN(CC(=O)O)C(=O)Cn1ccc(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
DUT P33316 11/20 0.40
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
CRBN Q96SW2 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL14528815 0.88 ALDH1A1 (0.48) ALDH1A1LMNADUTCA1CA2
SCHEMBL13663217 0.86 ALDH1A1 (0.52) ALDH1A1LMNADUTCA1CA2
SCHEMBL13876902 0.82 TK1 (0.40) ALDH1A1KDM4E
SCHEMBL8343330 0.79 ALDH1A1 (0.44) ALDH1A1LMNADUTCA1CA2
SCHEMBL13660674 0.78 MAPT (0.47) ALDH1A1KDM4EPOLB
SCHEMBL23623363 0.75 KMT2A (0.48) ALDH1A1LMNAKMT2A
SCHEMBL19370603 0.72 ALDH1A1 (0.51) ALDH1A1LMNADUTCA1CA2
SCHEMBL13660691 0.71 HPRT1 (0.41) MEN1KMT2A
SCHEMBL5712345 0.70 CKS1B (0.39) ALDH1A1LMNADUT
SCHEMBL5158820 0.70 TK1 (0.37)

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-20090258381-A1 Methods for Determining the Cleavability of Substrates FORSCHUNGSZENTRUM BORSTEL (DE) 2009-10-15 US disclosed
US-20090104633-A1 Kit for Highly Sensitive Detection Assays VYZKUMNY USTAV VETERINARNIHO LEKARSTVI (CZ) 2009-04-23 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-20090258381-A1 Methods for Determining the Cleavability of Substrates CTSF, ADAM17, ADAM10 ALDH1A1 2172/4885LMNA 490/4885DUT 446/4885

“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.