SCHEMBL8250592

SCHEMBL8250592

CC(C)(C)OC(=O)[C@H](Cc1ccc(Nc2ncccc2N)cc1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.47
ITGA2B P08514 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2C8 P10632 1/20 0.46
CYP2C9 P11712 1/20 0.46
NPR3 P17342 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
POLB P06746 1/20 0.46
CTSL P07711 3/20 0.45
CTSB P07858 3/20 0.45
CTSS P25774 3/20 0.45
KDM4E B2RXH2 2/20 0.45
CTSK P43235 1/20 0.44

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
SCHEMBL12193562 1.00 ITGB3 (0.47) ITGB3ITGA2BCYP3A4CYP2C8CYP2C9
SCHEMBL12193561 0.86 MAPT (0.49) ITGB3ITGA2BCYP3A4CYP2C8CYP2C9
SCHEMBL8250813 0.86 MAPT (0.49) ITGB3ITGA2BCYP3A4CYP2C8CYP2C9
SCHEMBL12341873 0.86 F2 (0.45) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL4733396 0.84 KLK5 (0.41) ITGB3ITGA2BMAPTTDP1CTSL
SCHEMBL7347913 0.84 F2 (0.55) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL12341800 0.84 F2 (0.55) ITGB3ITGA2BCTSLCTSBCTSS
SCHEMBL19485480 0.81 CTSK (0.62) ITGB3ITGA2BMAPTTDP1POLB
SCHEMBL9219338 0.81 CTSK (0.62) ITGB3ITGA2BMAPTTDP1POLB
SCHEMBL12317089 0.81 CA12 (0.44) CYP3A4CYP2C8CYP2C9NPR3CYP2C19

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-8268935-B2 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. (US) 2012-09-18 US disclosed
US-8030328-B2 Imidazolone phenylalanine derivatives ELAN PHARMACEUTICALS, INC. (US) 2011-10-04 US disclosed
US-20070037804-A1 Imidazolone phenylalanine derivatives TBD 2007-02-15 US disclosed
US-20070021555-A1 Preparation of polymer conjugates of therapeutic, agricultural, and food additive compounds ELAN PHARMACEUTICALS, INC. 2007-01-25 US disclosed
WO-2006127584-A1 IMIDAZOLONE PHENYLALANINE DERIVATIVES AS VLA-4 ANTAGONISTS ELAN PHARMACEUTICALS, INC. (US) 2006-11-30 WO 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-20070037804-A1 Imidazolone phenylalanine derivatives VCAM1, ICAM1, IL4I1 ITGB3 55/4885ITGA2B 222/4885CYP3A4 179/4885

“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.