SCHEMBL14557845

SCHEMBL14557845

CC(=O)Nc1cc(C(=O)O)ccc1OC[C@@H]1CCCN1C(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.46
▸ DPP4 P27487 7/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ PREP P48147 2/20 0.40
▸ FAP Q12884 2/20 0.40
▸ DPP8 Q6V1X1 2/20 0.40
▸ DPP9 Q86TI2 2/20 0.40
▸ TSHR P16473 1/20 0.39
▸ CREBBP Q92793 4/20 0.38
▸ MCHR1 Q99705 2/20 0.37
▸ DPP7 Q9UHL4 1/20 0.36

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
SCHEMBL14569587 0.89 ALDH1A1 (0.50) ALDH1A1DPP4MEN1HPGDKMT2A
SCHEMBL14557756 0.85 DPP4 (0.47) DPP4PREPFAPDPP8DPP9
SCHEMBL14557802 0.85 DPP4 (0.47) DPP4PREPFAPDPP8DPP9
SCHEMBL14557790 0.84 DPP4 (0.50) ALDH1A1DPP4PREPFAPDPP8
SCHEMBL14557784 0.84 DPP4 (0.51) ALDH1A1DPP4HPGDSMN1; SMN2PREP
SCHEMBL14557820 0.84 DPP4 (0.46) DPP4PREPFAPDPP8DPP9
SCHEMBL14557796 0.84 DPP4 (0.48) DPP4SMN1; SMN2PREPFAPDPP8
SCHEMBL14557815 0.83 DPP4 (0.45) DPP4PREPFAPDPP8DPP9
SCHEMBL14557797 0.81 DPP4 (0.43) ALDH1A1DPP4MEN1KMT2APREP
SCHEMBL14557747 0.80 NPSR1 (0.48) ALDH1A1HPGD

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 ALDH1A1 120/4885DPP4 288/4885MEN1 3283/4885

“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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