SCHEMBL5152041

SCHEMBL5152041

Cc1c(OCC2CCCN2C(=O)OC(C)(C)C)ccc(C(=O)O)c1C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 3/20 0.46
▸ FEN1 P39748 1/20 0.46
▸ KLK7 P49862 1/20 0.44
▸ F2RL3 Q96RI0 4/20 0.44
▸ GPR119 Q8TDV5 2/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ FPR3 P25089 1/20 0.40
▸ FPR2 P25090 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ HSD11B1 P28845 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
SCHEMBL5155609 0.84 DPP4 (0.49) ALOX5APFEN1F2RL3GPR119FPR3
SCHEMBL6544282 0.84 ALOX5AP (0.52) ALOX5APFEN1KLK7F2RL3GPR119
SCHEMBL6289529 0.82 F2RL3 (0.49) ALOX5APFEN1KLK7F2RL3GPR119
SCHEMBL5150218 0.82 ALOX5AP (0.50) ALOX5APFEN1KLK7F2RL3GPR119
SCHEMBL5150212 0.82 ALOX5AP (0.50) ALOX5APFEN1KLK7F2RL3GPR119
SCHEMBL25155629 0.80 ALOX5AP (0.49) ALOX5APFEN1F2RL3GPR119MEN1
SCHEMBL31360002 0.80 ALOX5AP (0.49) ALOX5APFEN1F2RL3GPR119MEN1
SCHEMBL31360230 0.80 ALOX5AP (0.49) ALOX5APFEN1F2RL3GPR119MEN1
SCHEMBL25155585 0.80 ALOX5AP (0.49) ALOX5APFEN1F2RL3GPR119MEN1
SCHEMBL31360077 0.80 ALOX5AP (0.49) ALOX5APFEN1F2RL3GPR119MEN1

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 5 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-20040229858-A1 VLA-4 inhibitor compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-11-18 — — US disclosed
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 (3 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 4684/4885KLK7 1961/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 ALOX5AP 246/4885FEN1 4687/4885KLK7 1893/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 ALOX5AP 257/4885FEN1 4669/4885KLK7 2142/4885

“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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