SCHEMBL5160942

SCHEMBL5160942

COC(=O)CCC(=O)CNC(=O)[C@@H]1CCCN1OCC(=O)OC(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 3/20 0.34
HRH3 Q9Y5N1 1/20 0.33
KMT2A Q03164 1/20 0.32
POLB P06746 1/20 0.32
SCN5A Q14524 1/20 0.31
SCN3A Q9NY46 1/20 0.31
NPC1 O15118 1/20 0.31
FAP Q12884 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CMA1 P23946 1/20 0.31
HSD17B10 Q99714 2/20 0.30
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
FKBP1A P62942 1/20 0.30
LMNA P02545 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL5161578 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KMT2APOLBSCN5A
SCHEMBL6179708 0.81 SMN1; SMN2 (0.56) SMN1; SMN2ALDH1A1KMT2APOLBSCN5A
SCHEMBL5163745 0.79 HTT (0.48) SMN1; SMN2ALDH1A1KMT2ATSHRFKBP1A
SCHEMBL71756 0.79 FKBP1A (0.44) SMN1; SMN2ALDH1A1POLBNPC1HSD17B10
SCHEMBL5158609 0.79 FKBP1A (0.44) SMN1; SMN2ALDH1A1POLBNPC1HSD17B10
SCHEMBL27562911 0.77 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1KMT2APOLBNPC1
SCHEMBL4299188 0.76 HSD17B10 (0.42) SMN1; SMN2HSD17B10KDM4ELMNA
SCHEMBL4299186 0.76 HSD17B10 (0.42) SMN1; SMN2HSD17B10KDM4ELMNA
SCHEMBL5160904 0.74 SMN1; SMN2 (0.34) SMN1; SMN2ALDH1A1KMT2APOLBCMA1
SCHEMBL5158933 0.72 HRH3 (0.33) SMN1; SMN2HRH3FAPCMA1

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
EP-1757602-A1 VLA-4 INHIBITOR DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20070232601-A1 Vla-4 Inhibitor VCAM1, ITGB4, ITGA4 SMN1; SMN2 3016/4885ALDH1A1 471/4885HRH3 468/4885

“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.