SCHEMBL4858666

SCHEMBL4858666

NC(=O)CCSCCCO

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BHMT Q93088 3/20 0.37
CAMK2A Q9UQM7 1/20 0.35
ALOX15 P16050 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
TSHR P16473 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.30
NOS2 P35228 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
SCHEMBL1106831 0.85
SCHEMBL788769 0.84 KMT2A (0.53) TDP1KMT2ALMNAHSD17B10BHMT
SCHEMBL11938132 0.82 KMT2A (0.50) TDP1KMT2ALMNAHSD17B10BHMT
SCHEMBL3068716 0.82 TSHR (0.44) TDP1KMT2ALMNAHSD17B10BHMT
SCHEMBL11862251 0.79 FAAH (0.45) TDP1KMT2ALMNAHSD17B10BLM
SCHEMBL3913691 0.78 LMNA (0.70) TDP1KMT2ALMNAHSD17B10BHMT
SCHEMBL19838190 0.77 BHMT (0.61) TDP1KMT2ALMNAHSD17B10BHMT
SCHEMBL22257519 0.77 KMT2A (0.37) TDP1KMT2ALMNAHSD17B10BHMT
SCHEMBL10339731 0.77 CES2 (0.50) KMT2AHSD17B10BLMALDH1A1KDM4E
SCHEMBL80649 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230129258-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES BICYCLETX LIMITED (GB) 2023-04-27 US disclosed
US-7408023-B2 Peptoids incorporating chemoselective functionalities NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-08-05 US disclosed
US-20060188916-A1 Peptoids incorporating chemoselective functionalities NOVARTIS VACCINES AND DIAGNOSTICS, INC. 2006-08-24 US disclosed
US-7030216-B2 Peptoids incorporating chemoselective functionalities CHIRON CORPORATION (US) 2006-04-18 US disclosed
US-20020169281-A1 Peptoids incorporating chemoselective functionalities CHIRON CORPORATION 2002-11-14 US disclosed
WO-2002081637-A2 PEPTIDES INCORPORATING CHEMOSELECTIVE FUNCTIONALITIES CHIRON CORPORATION (US) 2002-10-17 WO 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-20060188916-A1 Peptoids incorporating chemoselective functionalities VIP, PCNA, DNPEP TDP1 3053/4885KMT2A 3998/4885LMNA 3642/4885
US-20230129258-A1 HETEROTANDEM BICYCLIC PEPTIDE COMPLEXES TAP1, TIMCC, CD81 TDP1 4227/4885KMT2A 2917/4885LMNA 4501/4885
US-20020169281-A1 Peptoids incorporating chemoselective functionalities VIP, PCNA, DNPEP TDP1 3053/4885KMT2A 3998/4885LMNA 3642/4885

“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.