SCHEMBL14557767

SCHEMBL14557767

CC(C)CC(=O)N1CCC[C@H]1CS(=O)(=O)c1cccc(C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ DPP4 P27487 9/20 0.44
▸ DPP8 Q6V1X1 3/20 0.44
▸ DPP9 Q86TI2 3/20 0.44
▸ DPP7 Q9UHL4 3/20 0.44
▸ MAPT P10636 1/20 0.44
▸ IL1RN P18510 1/20 0.44
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ EPHX2 P34913 1/20 0.39
▸ AKR1C3 P42330 2/20 0.39
▸ AKR1C1 Q04828 1/20 0.39
▸ LMNA P02545 1/20 0.39

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
SCHEMBL14569493 0.88 NPC1 (0.54) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL14557769 0.87 NPC1 (0.49) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL14557764 0.78 APEX1 (0.42) DPP4DPP8DPP9DPP7
SCHEMBL26997900 0.73 SMN1; SMN2 (0.44) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL26724937 0.72 SMN1; SMN2 (0.49) NPC1RAB9ADPP4DPP8MAPT
SCHEMBL19432460 0.72 SMN1; SMN2 (0.49) NPC1RAB9ADPP4DPP8MAPT
SCHEMBL14557864 0.72 STAT6 (0.41) DPP4DPP8DPP9DPP7KMT2A
SCHEMBL26734026 0.72 SMN1; SMN2 (0.42) NPC1RAB9ADPP4DPP8DPP9
SCHEMBL14557874 0.71 DPP4 (0.40) DPP4DPP8DPP9DPP7MAPT
SCHEMBL5416488 0.71 AKR1C3 (0.51) MAPTIL1RNKMT2AALDH1A1MEN1

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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