SCHEMBL14557797

SCHEMBL14557797

CC(C)CC(=O)N1CCC[C@H]1COc1ccc(C(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.43
▸ ALDH1A1 P00352 6/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PLA2G4B P0C869 1/20 0.41
▸ HCAR3 P49019 5/20 0.41
▸ LMNA P02545 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ PREP P48147 1/20 0.40
▸ FAP Q12884 1/20 0.40
▸ DPP8 Q6V1X1 1/20 0.40
▸ DPP9 Q86TI2 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ MYC P01106 1/20 0.39
▸ MAX P61244 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 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
SCHEMBL14569498 0.89 PLA2G4B (0.46) DPP4ALDH1A1KDM4EPLA2G4BHCAR3
SCHEMBL14611262 0.89 HCAR3 (0.45) DPP4ALDH1A1KDM4EPLA2G4BHCAR3
SCHEMBL14557756 0.85 DPP4 (0.47) DPP4PREPFAPDPP8DPP9
SCHEMBL14557802 0.85 DPP4 (0.47) DPP4PREPFAPDPP8DPP9
SCHEMBL14557820 0.84 DPP4 (0.46) DPP4LMNAPREPFAPDPP8
SCHEMBL14557796 0.84 DPP4 (0.48) DPP4KDM4EPOLBPREPFAP
SCHEMBL14557784 0.84 DPP4 (0.51) DPP4ALDH1A1POLBPREPFAP
SCHEMBL14557790 0.84 DPP4 (0.50) DPP4ALDH1A1PREPFAPDPP8
SCHEMBL31615587 0.83 DPP4 (0.45) DPP4ALDH1A1KDM4EPLA2G4BHCAR3
SCHEMBL14557815 0.83 DPP4 (0.45) DPP4PREPFAPDPP8DPP9

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-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

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 DPP4 288/4885ALDH1A1 120/4885KDM4E 409/4885

“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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