SCHEMBL6544282

SCHEMBL6544282

CC(C)(C)OC(=O)N1CCC[C@H]1COc1c(C(=O)O)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.52
▸ FEN1 P39748 1/20 0.52
▸ F2RL3 Q96RI0 2/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ KLK7 P49862 1/20 0.44
▸ OPRD1 P41143 1/20 0.42
▸ UCHL1 P09936 1/20 0.42
▸ GPR119 Q8TDV5 2/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ IL1B P01584 1/20 0.41
▸ P2RX7 Q99572 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL6289529 0.87 F2RL3 (0.49) ALOX5APFEN1F2RL3MEN1KMT2A
SCHEMBL5152041 0.84 ALOX5AP (0.46) ALOX5APFEN1F2RL3MEN1KMT2A
SCHEMBL938053 0.83 ABHD6 (0.50) ALOX5APFEN1GPR119KDM1A
SCHEMBL27936838 0.83 ABHD6 (0.50) ALOX5APFEN1GPR119KDM1A
SCHEMBL938055 0.83 ABHD6 (0.50) ALOX5APFEN1GPR119KDM1A
SCHEMBL5150212 0.82 ALOX5AP (0.50) ALOX5APFEN1F2RL3KLK7GPR119
SCHEMBL5150218 0.82 ALOX5AP (0.50) ALOX5APFEN1F2RL3KLK7GPR119
SCHEMBL25155585 0.81 ALOX5AP (0.49) ALOX5APFEN1F2RL3MEN1KMT2A
SCHEMBL31360230 0.81 ALOX5AP (0.49) ALOX5APFEN1F2RL3MEN1KMT2A
SCHEMBL31360077 0.81 ALOX5AP (0.49) ALOX5APFEN1F2RL3MEN1KMT2A

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-6756378-B2 BENZYL -UREA, -THIOUREA, OR -GUANIDINE DERIVATIVES THAT INHIBIT THE BINDING OF LIGANDS TO ALPHA 4 BETA 1 INTEGRIN (VLA-4) PHARMACOPEIA DRUG DISCOVERY, INC. 2004-06-29 — — US disclosed
US-20030078249-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-04-24 — — 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-20030078249-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGA4 ALOX5AP 229/4885FEN1 4684/4885F2RL3 89/4885

“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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