SCHEMBL13617138

SCHEMBL13617138

CNC(=S)NCCCC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 2/20 0.41
HRH2 P25021 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 2/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL13617140 0.94 HRH2 (0.41) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL13617135 0.86 LMNA (0.38) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL21231185 0.76 ALDH1A1 (0.33) ALDH1A1MEN1KMT2A
SCHEMBL14192214 0.75 KDM4E (0.45) QPCTHRH2HRH4HRH3ALDH1A1
SCHEMBL21324897 0.75 QPCT (0.46) QPCTALDH1A1GAAKDM4EMEN1
SCHEMBL6009315 0.75
SCHEMBL9948686 0.75
SCHEMBL23383875 0.75 KDM4E (0.33) KDM4E
SCHEMBL13046406 0.74 KEAP1 (0.46) KDM4EMEN1KMT2AMTNR1A
SCHEMBL12341229 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2023-04-27 US disclosed
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF ARES CAPITAL CORPORATION, AS AGENT 2023-04-27 US disclosed
US-20230027864-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS MODERNATX, INC. 2023-01-26 US disclosed
US-20220409536-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2022-12-29 US disclosed
WO-2021155267-A2 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF MODERNATX, INC. (US) 2021-08-05 WO disclosed
US-20210154148-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS ARES CAPITAL CORPORATION, AS AGENT 2021-05-27 US disclosed
WO-2021076805-A1 MRNAS ENCODING IMMUNE MODULATING POLYPEPTIDES AND USES THEREOF Moderna TX, Inc. (US) 2021-04-22 WO disclosed
US-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS MODERNATX, INC. 2019-10-17 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 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 (6 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-20210154148-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PLTP, PLIN3 QPCT 2747/4885HRH2 3977/4885HRH4 4140/4885
US-20230027864-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS LCP2, CD14, MYD88 QPCT 2651/4885HRH2 3929/4885HRH4 3856/4885
US-20220409536-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF THERAPEUTIC AGENTS LNPK, PLTP, PLIN3 QPCT 2747/4885HRH2 3977/4885HRH4 4140/4885
US-20230130155-A1 MRNAS ENCODING METABOLIC REPROGRAMMING POLYPEPTIDES AND USES THEREOF HMOX1, CD209, HMOX2 QPCT 2950/4885HRH2 3395/4885HRH4 3457/4885
US-20190314291-A1 COMPOSITIONS AND METHODS FOR DELIVERY OF AGENTS TO IMMUNE CELLS LCP2, CD14, MYD88 QPCT 2651/4885HRH2 3929/4885HRH4 3856/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 QPCT 208/4885HRH2 4061/4885HRH4 4141/4885

“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.