SCHEMBL23098263

SCHEMBL23098263

CC(=O)NCSCC(C)C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
FUCA1 P04066 1/20 0.33
MTNR1A P48039 5/20 0.32
MTNR1B P49286 5/20 0.32
NPSR1 Q6W5P4 1/20 0.32
METAP2 P50579 2/20 0.32
METAP1 P53582 2/20 0.32
PAOX Q6QHF9 2/20 0.30
MMP1 P03956 1/20 0.30
MMP8 P22894 1/20 0.30
ZDHHC7 Q9NXF8 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
SCHEMBL11545909 0.81 TSHR (0.39) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL9056681 0.80 TSHR (0.55) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL21661212 0.78 TSHR (0.68) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL8894370 0.75 NOS2 (0.38) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL210387 0.75 NOS2 (0.49) TSHRALDH1A1
SCHEMBL16326649 0.75 TSHR (0.38) TSHRALDH1A1KDM4EMAPK1HIF1A
SCHEMBL210388 0.75 NOS2 (0.49) TSHRALDH1A1
SCHEMBL3928876 0.75 NOS2 (0.49) TSHRALDH1A1
SCHEMBL13402460 0.74 TSHR (0.33) TSHR
SCHEMBL7265297 0.74 TSHR (0.36) TSHRALDH1A1KDM4EMAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES SEDERMA (FR) 2024-07-04 US disclosed
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES SEDERMA (FR) 2024-07-04 US disclosed
US-12024537-B2 Compositions and methods for chemical synthesis SEDERMA (FR) 2024-07-02 US disclosed
US-20210079036-A1 COMPOSITIONS AND METHODS FOR CHEMICAL SYNTHESIS GAP PEPTIDES LLC (US) 2021-03-18 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-12024537-B2 Compositions and methods for chemical synthesis NGLY1, DNPEP, HM13 TSHR 3502/4885ALDH1A1 4375/4885KDM4E 3558/4885
US-20210079036-A1 COMPOSITIONS AND METHODS FOR CHEMICAL SYNTHESIS NGLY1, DNPEP, HM13 TSHR 3502/4885ALDH1A1 4375/4885KDM4E 3558/4885
US-20240217995-A1 COMPOSITIONS FOR CHEMICAL SYNTHESIS OF PEPTIDES PTMS, DNPEP, ANPEP TSHR 2244/4885ALDH1A1 4405/4885KDM4E 3157/4885

“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.