SCHEMBL19425453

SCHEMBL19425453

CC(C)[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(Br)nc2)SC1=S

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 8/20 0.76
MEN1 O00255 5/20 0.76
KMT2A Q03164 5/20 0.76
MCL1 Q07820 2/20 0.76
BCL2L1 Q07817 1/20 0.76
BAK1 Q16611 1/20 0.76
ADAMTS5 Q9UNA0 2/20 0.60
BCL2L2 Q92843 5/20 0.60
MAPT P10636 8/20 0.57
POLB P06746 4/20 0.54
ALDH1A1 P00352 3/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
BAD Q92934 3/20 0.53
PLA2G1B P04054 1/20 0.50
ATG4B Q9Y4P1 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.48
KDM4E B2RXH2 1/20 0.48
USP2 O75604 1/20 0.48
CYP3A4 P08684 1/20 0.48

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
SCHEMBL3426375 1.00 BCL2 (0.76) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL3426376 1.00 BCL2 (0.76) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL3426372 1.00 BCL2 (0.76) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL4264548 0.87 BCL2 (1.00) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL158040 0.87 BCL2 (1.00) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL158041 0.87 BCL2 (1.00) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL19420059 0.85 BCL2 (0.54) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL13982547 0.83 BCL2 (0.80) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL13812532 0.83 BCL2 (0.80) BCL2MEN1KMT2AMCL1BCL2L1
SCHEMBL5970105 0.83 BCL2 (0.80) BCL2MEN1KMT2AMCL1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES UNITY BIOTECHNOLOGY, INC. 2017-10-05 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-20170281649-A1 COMPOUNDS AND THERAPEUTIC USES TP53, NQO1, SHMT2 BCL2 520/4885MEN1 3416/4885KMT2A 3471/4885

“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.