SCHEMBL14163443

SCHEMBL14163443

CC(C)C(C(=O)O)N1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.78
MEN1 O00255 6/20 0.78
BCL2 P10415 4/20 0.78
MCL1 Q07820 2/20 0.78
BCL2L1 Q07817 1/20 0.78
BAK1 Q16611 1/20 0.78
MAPT P10636 5/20 0.64
ADAMTS5 Q9UNA0 2/20 0.63
PTPN1 P18031 1/20 0.62
POLB P06746 4/20 0.60
ALDH1A1 P00352 4/20 0.60
LMNA P02545 2/20 0.60
GAA P10253 1/20 0.60
CISD1 Q9NZ45 2/20 0.59
MAOB P27338 1/20 0.59
BCL2L2 Q92843 1/20 0.57
TDP1 Q9NUW8 3/20 0.57
HSP90AA1 P07900 1/20 0.57
KDM4E B2RXH2 2/20 0.54
CYP3A4 P08684 2/20 0.54

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
SCHEMBL19736048 0.89 PTPN1 (0.64) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL29408635 0.89 PTPN1 (0.64) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL13812532 0.89 BCL2 (0.80) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL13982547 0.89 BCL2 (0.80) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL5970104 0.89 BCL2 (0.80) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL5970105 0.89 BCL2 (0.80) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL158041 0.88 BCL2 (1.00) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL4264548 0.88 BCL2 (1.00) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL158040 0.88 BCL2 (1.00) KMT2AMEN1BCL2MCL1BCL2L1
SCHEMBL13657863 0.87 BCL2 (0.77) KMT2AMEN1BCL2MCL1BCL2L1

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-7390836-B2 Small molecules used to increase cell death PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2008-06-24 US disclosed
US-20070219277-A1 Small molecules used to increase cell death US GOVERNMENT-SECRETARY FOR THE ARMY 2007-09-20 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-20070219277-A1 Small molecules used to increase cell death BAD, CASP3, BAX KMT2A 3823/4885MEN1 2747/4885BCL2 5/4885

“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.