SCHEMBL14557696

SCHEMBL14557696

CC(C)CC(=O)N1CCCC1c1cccc(CCC(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.43
▸ ADAM17 P78536 2/20 0.43
▸ RIPK1 Q13546 2/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ PSMB8 P28062 1/20 0.40
▸ PPID Q08752 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TMEM97 Q5BJF2 1/20 0.38
▸ SIGMAR1 Q99720 1/20 0.38
▸ AADAT Q8N5Z0 1/20 0.38
▸ F2 P00734 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
SCHEMBL14611259 0.89 RIPK1 (0.44) EPHX2ADAM17RIPK1MEN1KMT2A
SCHEMBL14557708 0.89 EPHX2 (0.41) EPHX2ADAM17RIPK1PPID
SCHEMBL14610825 0.88 EPHX2 (0.46) EPHX2ADAM17RIPK1MEN1KMT2A
SCHEMBL14557706 0.86 HRH3 (0.46) EPHX2ADAM17RIPK1MEN1KMT2A
SCHEMBL14569489 0.85 EPHX2 (0.47) EPHX2ADAM17RIPK1HPGDSMN1; SMN2
SCHEMBL20905412 0.82 RIPK1 (0.59) EPHX2ADAM17RIPK1PSMB8PPID
SCHEMBL14557693 0.82 KDM4E (0.41) ADAM17RIPK1MEN1KMT2APSMB8
SCHEMBL14557714 0.80 EPHX2 (0.37) EPHX2ADAM17RIPK1PPID
SCHEMBL14557723 0.80 ADAM17 (0.35) EPHX2ADAM17RIPK1PSMB8
SCHEMBL14610823 0.76 EPHX2 (0.43) EPHX2ADAM17RIPK1PPIDTMEM97

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 EPHX2 3415/4885ADAM17 2204/4885RIPK1 4081/4885

“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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