SCHEMBL5160587

SCHEMBL5160587

COC(=O)CCc1cnc([C@@H]2CCCN2C(=O)OC(C)(C)C)s1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
TSHR P16473 5/20 0.41
KMT2A Q03164 4/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 4/20 0.40
SCN5A Q14524 1/20 0.39
SCN3A Q9NY46 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL6178048 1.00 ALDH1A1 (0.43) ALDH1A1TSHRKMT2AL3MBTL1MEN1
Hydrochloric Acid SCHEMBL5160519 0.99 ALDH1A1 (0.42) ALDH1A1TSHRKMT2AL3MBTL1MEN1
SCHEMBL27542566 0.87 TRPV1 (0.41) ALDH1A1KMT2AMEN1LMNA
SCHEMBL14400254 0.85 GPR119 (0.34) ALDH1A1L3MBTL1SCN5ASCN3A
SCHEMBL5160998 0.85 GCK (0.32) ALDH1A1KMT2AMEN1
SCHEMBL5162229 0.84 HRH3 (0.33) ALDH1A1KMT2AMEN1
SCHEMBL5160579 0.84 CYP1A2 (0.37) ALDH1A1
SCHEMBL14371748 0.83 OPRK1 (0.33) ALDH1A1KMT2ASCN5ASCN3A
SCHEMBL14371739 0.83 GCK (0.32) ALDH1A1TSHRLMNASCN5ASCN3A
SCHEMBL14371698 0.83 UCHL1 (0.37) SCN5ASCN3A

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-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
US-20070232601-A1 Vla-4 Inhibitor DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-10-04 US disclosed
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 ALDH1A1 471/4885TSHR 1572/4885KMT2A 1139/4885

“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.