SCHEMBL20008953

SCHEMBL20008953

CCS(=O)(=O)N1CCN(C(C)C)CC1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
MCL1 Q07820 1/20 0.35
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
HSD11B1 P28845 5/20 0.34
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMYD3 Q9H7B4 5/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31

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
SCHEMBL20009061 0.81 TP53 (0.41) KDM4EHSD11B1LMNAGAAL3MBTL1
SCHEMBL18133469 0.81 TP53 (0.41) KDM4EHSD11B1LMNAGAAL3MBTL1
SCHEMBL20009002 0.81 TP53 (0.41) KDM4EHSD11B1LMNAGAAL3MBTL1
SCHEMBL20009018 0.81 SMYD3 (0.39) HSD11B1LMNASMYD3
SCHEMBL20008977 0.79 HSD11B1 (0.34) HSD11B1SMYD3
SCHEMBL20012712 0.74 KMT2A (0.36) MEN1PKMKMT2AHSD11B1SMYD3
SCHEMBL19369062 0.72 TP53 (0.37) KDM4ETSHRMCL1MEN1PKM
SCHEMBL19369063 0.72 TP53 (0.37) KDM4ETSHRMCL1MEN1PKM
SCHEMBL19369363 0.72 TP53 (0.37) KDM4ETSHRMCL1MEN1PKM
SCHEMBL20248308 0.72 TP53 (0.37) KDM4ETSHRMCL1MEN1PKM

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-10308614-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-06-04 US disclosed
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2018-03-29 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 (2 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-10308614-B2 Therapeutic compounds and uses thereof SMARCC1, SMARCC2, SMARCA4 KDM4E 1623/4885TSHR 1817/4885MCL1 1758/4885
US-20180086720-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF SMARCC1, SMARCC2, SMARCA4 KDM4E 1623/4885TSHR 1817/4885MCL1 1758/4885

“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.