SCHEMBL20248201

SCHEMBL20248201

O=C(O)CCc1ccc(-c2ccc(S)cc2)n1CCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.62
KDM4E B2RXH2 14/20 0.62
KMT2A Q03164 6/20 0.61
GAA P10253 6/20 0.61
MEN1 O00255 5/20 0.61
MAPT P10636 4/20 0.61
PKM P14618 3/20 0.61
TAAR1 Q96RJ0 1/20 0.61
HSD17B10 Q99714 13/20 0.59
HPGD P15428 8/20 0.59
CYP2C9 P11712 2/20 0.59
CNKSR1 Q969H4 1/20 0.59
ALOX15 P16050 5/20 0.55
L3MBTL1 Q9Y468 3/20 0.55
USP2 O75604 2/20 0.55
MAPK1 P28482 2/20 0.55
POLB P06746 4/20 0.53
ALOX12 P18054 2/20 0.53
CASP1 P29466 2/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL20250918 0.87 ALDH1A1 (0.78) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL20248200 0.87 KDM4E (0.78) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL9763051 0.78 ALDH1A1 (0.76) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL20248140 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL20248153 0.78 ALDH1A1 (0.63) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL19270610 0.74 ALDH1A1 (0.79) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL14285635 0.74 ALDH1A1 (1.00) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL17211755 0.74 CNKSR1 (1.00) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL20248187 0.69 ALDH1A1 (0.85) ALDH1A1KDM4EKMT2AGAAMEN1
SCHEMBL9763027 0.69 MEN1 (0.81) ALDH1A1KDM4EKMT2AMEN1MAPT

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-20180161313-A1 Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors TEXAS TECH UNIVERSITY SYSTEM 2018-06-14 US disclosed
US-20180161313-A1 Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors TEXAS TECH UNIVERSITY SYSTEM 2018-06-14 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-20180161313-A1 Inhibitors of Mcl-1 as Drugs to Overcome Resistance to BRAF Inhibitors and MEK Inhibitors MCL1, BRAF, RAF1 ALDH1A1 2512/4885KDM4E 1895/4885KMT2A 1550/4885

“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.