SCHEMBL23866596

SCHEMBL23866596

CC(C)C(=O)NCCC1CS(=O)(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.38
BCHE P06276 2/20 0.37
NQO2 P16083 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
DPP4 P27487 1/20 0.34
PREP P48147 1/20 0.34
FAP Q12884 1/20 0.34
USP2 O75604 1/20 0.31
TSHR P16473 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 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
SCHEMBL21661508 0.81 ALDH1A1 (0.46) MTNR1AMTNR1BPOLBKDM4EALDH1A1
SCHEMBL11090 0.81 SIGMAR1 (0.49) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL21660832 0.79 KDM4E (0.41) NQO2MTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL24276406 0.78 SIGMAR1 (0.57) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL22255154 0.76 SIGMAR1 (0.39) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL9891794 0.76 SIGMAR1 (0.60) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL22519387 0.76 MEN1 (0.47) SIGMAR1NQO2MTNR1AMTNR1BKDM4E
SCHEMBL24333751 0.75 SIGMAR1 (0.38) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL9891910 0.74 SIGMAR1 (0.43) SIGMAR1BCHENQO2MTNR1AMTNR1B
SCHEMBL12413657 0.74 SIGMAR1 (0.57) SIGMAR1BCHENQO2MTNR1AMTNR1B

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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2021-09-30 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-20210300940-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 SIGMAR1 430/4885BCHE 4738/4885NQO2 3177/4885

“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.