SCHEMBL20009061

SCHEMBL20009061

CC(C)N1CCN(S(C)(=O)=O)C(C)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
HSD11B1 P28845 3/20 0.39
ALDH1A1 P00352 3/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.35
ACHE P22303 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SLC6A9 P48067 1/20 0.30

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
SCHEMBL18133469 1.00 TP53 (0.41) TP53HSD11B1ALDH1A1RECQLKDM4E
SCHEMBL20009002 1.00 TP53 (0.41) TP53HSD11B1ALDH1A1RECQLKDM4E
SCHEMBL19369363 0.82 TP53 (0.37) TP53HSD11B1ALDH1A1RECQLKDM4E
SCHEMBL19369063 0.82 TP53 (0.37) TP53HSD11B1ALDH1A1RECQLKDM4E
SCHEMBL20248308 0.82 TP53 (0.37) TP53HSD11B1ALDH1A1RECQLKDM4E
SCHEMBL19369062 0.82 TP53 (0.37) TP53HSD11B1ALDH1A1RECQLKDM4E
SCHEMBL20008977 0.81 HSD11B1 (0.34) HSD11B1
SCHEMBL20008953 0.81 KDM4E (0.35) HSD11B1KDM4ELMNAGAAL3MBTL1
SCHEMBL25275910 0.81 TP53 (0.36) TP53HSD11B1ALDH1A1RECQLKDM4E
SCHEMBL25281278 0.77 TSHR (0.35) TP53HSD11B1ALDH1A1RECQLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10781218-B2 Substituted inhibitors of menin-MLL and methods of use KURA ONCOLOGY, INC. (US) 2020-09-22 US disclosed
US-20190092784-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE KURA ONCOLOGY, INC. 2019-03-28 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (3 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-20190092784-A1 SUBSTITUTED INHIBITORS OF MENIN-MLL AND METHODS OF USE MLLT1, MEN1, MLLT3 TP53 570/4885HSD11B1 3988/4885ALDH1A1 4538/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 TP53 475/4885HSD11B1 2021/4885ALDH1A1 3032/4885
US-10781218-B2 Substituted inhibitors of menin-MLL and methods of use MLLT1, MEN1, MLLT3 TP53 868/4885HSD11B1 2592/4885ALDH1A1 3391/4885

“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.