SCHEMBL5153102

SCHEMBL5153102

COC(=O)c1cnc(OCC2CCCN2C(=O)OC(C)(C)C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 1/20 0.44
▸ USP30 Q70CQ3 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ ALOX5AP P20292 3/20 0.43
▸ FEN1 P39748 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ F2RL3 Q96RI0 2/20 0.40
▸ CHRNB2 P17787 1/20 0.38
▸ CHRNA7 P36544 1/20 0.38
▸ CHRNA4 P43681 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.38
▸ PDE7B Q9NP56 1/20 0.38
▸ NPC1 O15118 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
SCHEMBL5151600 0.86 UCHL1 (0.47) UCHL1USP30ALOX5APFEN1ALDH1A1
SCHEMBL6207775 0.84 DPP4 (0.41) DPP4CHRNB2CHRNA7CHRNA4
SCHEMBL4741479 0.82 CHRNB2 (0.47) UCHL1USP30ALOX5APFEN1F2RL3
SCHEMBL5149728 0.81 ALOX5AP (0.47) UCHL1USP30ALOX5APFEN1F2RL3
SCHEMBL29007780 0.79 SSTR4 (0.47) ALOX5APFEN1ALDH1A1F2RL3LMNA
SCHEMBL29007782 0.79 SSTR4 (0.47) ALOX5APFEN1ALDH1A1F2RL3LMNA
SCHEMBL5151622 0.79 NPC1 (0.47) UCHL1USP30ALOX5APFEN1MAPT
SCHEMBL29039401 0.77 CHRNB4 (0.47) UCHL1USP30ALOX5APFEN1CHRNB2
SCHEMBL26999489 0.77 CHRNB4 (0.47) UCHL1USP30ALOX5APFEN1CHRNB2
SCHEMBL29410752 0.77 CHRNB4 (0.47) UCHL1USP30ALOX5APFEN1CHRNB2

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 UCHL1 3675/4885USP30 4522/4885DPP4 378/4885
US-20070054909-A1 VLA-4 inhibitor compounds VCAM1, ITGB4, ICAM1 UCHL1 3469/4885USP30 4484/4885DPP4 288/4885
US-20040229858-A1 VLA-4 inhibitor compounds VCAM1, ICAM1, ITGB4 UCHL1 3482/4885USP30 4441/4885DPP4 366/4885

“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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