SCHEMBL14569809

SCHEMBL14569809

CCC(=O)N1CCC[C@H]1C[S+]([O-])c1ccc(C(=O)O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.39
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ HPGD P15428 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.36
▸ DPP4 P27487 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ LTA4H P09960 3/20 0.34

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
SCHEMBL14557775 0.88 MEN1 (0.36) MEN1KMT2AHRH3DPP4NPSR1
SCHEMBL14569546 0.77 HRH3 (0.48) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL14569599 0.76 EPHX2 (0.48) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL14569506 0.76 ALDH1A1 (0.50) NPC1RAB9AHPGDALDH1A1TSHR
SCHEMBL14569706 0.76 EPHX2 (0.40) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL14610876 0.76 EPHX2 (0.48) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL14569600 0.75 DPP4 (0.41) EPHX2NPC1RAB9AMEN1KMT2A
SCHEMBL14569542 0.73 RIPK1 (0.49) EPHX2MEN1KMT2AALDH1A1HRH3
SCHEMBL14569491 0.72 EPHX2 (0.41) EPHX2MEN1KMT2AALDH1A1HRH3
SCHEMBL14569576 0.71 DPP4 (0.46) NPC1RAB9AHPGDALDH1A1DPP4

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 1 patent. 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

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 3415/4885NPC1 3300/4885RAB9A 1984/4885

“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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