SCHEMBL5155609

SCHEMBL5155609

CC(C)(C)OC(=O)N1CCC[C@H]1COc1ccc(C(=O)O)cc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 5/20 0.49
▸ F2RL3 Q96RI0 4/20 0.43
▸ ALOX5AP P20292 3/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ GPR119 Q8TDV5 2/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ FPR3 P25089 1/20 0.41
▸ FPR2 P25090 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
SCHEMBL5151872 0.89 DPP4 (0.54) DPP4F2RL3ALOX5APFEN1
SCHEMBL5151871 0.89 DPP4 (0.54) DPP4F2RL3ALOX5APFEN1
SCHEMBL31615587 0.85 DPP4 (0.45) DPP4ALOX5APFEN1NPC1
SCHEMBL5152041 0.84 ALOX5AP (0.46) DPP4F2RL3ALOX5APFEN1GPR119
SCHEMBL14569576 0.84 DPP4 (0.46) DPP4ALOX5APNPC1
SCHEMBL5149970 0.84 ALOX5AP (0.48) ALOX5APFEN1GPR119NPC1CHEK2
SCHEMBL5149980 0.84 ALOX5AP (0.48) ALOX5APFEN1GPR119NPC1CHEK2
SCHEMBL6289529 0.81 F2RL3 (0.49) F2RL3ALOX5APFEN1GPR119
SCHEMBL14557756 0.81 DPP4 (0.47) DPP4
SCHEMBL5150218 0.81 ALOX5AP (0.50) F2RL3ALOX5APFEN1GPR119CHEK2

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 4 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 DPP4 288/4885F2RL3 100/4885ALOX5AP 246/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 DPP4 366/4885F2RL3 94/4885ALOX5AP 257/4885

“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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