SCHEMBL14557769

SCHEMBL14557769

CC(C)CC(=O)N1CCC[C@H]1CS(=O)(=O)c1ccc(C(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.49
▸ RAB9A P51151 4/20 0.49
▸ DPP4 P27487 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TAS2R14 Q9NYV8 1/20 0.40
▸ KMT2A Q03164 4/20 0.39
▸ GAA P10253 1/20 0.39
▸ MEN1 O00255 2/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38
▸ MDM2 Q00987 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL14557767 0.87 NPC1 (0.48) NPC1RAB9ADPP4ALDH1A1KMT2A
SCHEMBL14557775 0.80 MEN1 (0.36) DPP4KMT2AMEN1DPP8NPSR1
SCHEMBL14557743 0.79 HRH3 (0.46) NPC1RAB9ADPP4KMT2AMEN1
SCHEMBL14557773 0.78 MEN1 (0.37) DPP4KMT2AMEN1NPSR1POLB
SCHEMBL14557858 0.78 DPP4 (0.42) DPP4ALDH1A1DPP8DPP9DPP7
SCHEMBL14557747 0.78 NPSR1 (0.48) NPC1RAB9AALDH1A1NPSR1POLB
SCHEMBL14557976 0.78 DPP4 (0.42) DPP4ALDH1A1DPP8DPP9DPP7
SCHEMBL14557864 0.77 STAT6 (0.41) DPP4KMT2AMEN1DPP8DPP9
SCHEMBL26997900 0.76 SMN1; SMN2 (0.44) NPC1RAB9ADPP4ALDH1A1DPP8
SCHEMBL14610878 0.76 RIPK1 (0.46) DPP4KMT2AMEN1NPSR1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054909-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — US disclosed
US-7179819-B2 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-20 — — 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-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 NPC1 3300/4885RAB9A 1984/4885DPP4 288/4885

“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.

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