SCHEMBL4864268

SCHEMBL4864268

CCCC[C@@H](C(=O)CS)[C@H](C(C)C)N1CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 4/20 0.34
MMP9 P14780 3/20 0.34
MMP1 P03956 2/20 0.34
SLC6A3 Q01959 7/20 0.33
SLC6A2 P23975 6/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.33
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
DPP4 P27487 2/20 0.32
FAP Q12884 1/20 0.32
DPP8 Q6V1X1 1/20 0.32
DPP9 Q86TI2 1/20 0.32
DPP7 Q9UHL4 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SLC6A4 P31645 3/20 0.31
SIGMAR1 Q99720 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
SCHEMBL4864264 0.77 HRH3 (0.33) SLC6A3SLC6A2MAPTALDH1A1HRH3
SCHEMBL4875658 0.77 MAPT (0.33) MMP3MMP9MMP1SLC6A3SLC6A2
SCHEMBL4864379 0.74
SCHEMBL4873969 0.73 SPHK1 (0.37) SLC6A3SLC6A2MAPTALDH1A1L3MBTL1
SCHEMBL4871930 0.73 HRH3 (0.36) HRH3
SCHEMBL4871935 0.73 HRH3 (0.36) HRH3
SCHEMBL14269702 0.71 MAPT (0.33) SLC6A3SLC6A2MAPTALDH1A1L3MBTL1
SCHEMBL4866272 0.66 CHRM2 (0.32) SLC6A3SLC6A2DPP7SLC6A4
SCHEMBL11843409 0.64 GPR84 (0.43) MAPTL3MBTL1
SCHEMBL3869954 0.64 HRH3 (0.41) SLC6A3SLC6A2MAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335781-B2 Aminothiol compound HUEY JIIN CO., LTD. (TW) 2008-02-26 US disclosed
US-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries HUEY JIIN CO., LTD. (TW) 2004-09-16 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-20040181057-A1 perform as superior catalysts in asymmetric addition reactions wherein organic zinc and aldehyde are involved; Such catalyses are economically useful for industries ALDH7A1, ALDH3A1, ALDH1A1 MMP3 4134/4885MMP9 3419/4885MMP1 2966/4885

“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.