SCHEMBL7105102

SCHEMBL7105102

COC(=O)[C@H](Cc1ccc(Oc2ncccn2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KLK5 Q9Y337 1/20 0.52
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HDAC8 Q9BY41 1/20 0.48
PTPN1 P18031 2/20 0.48
ITGB1 P05556 2/20 0.47
ITGA4 P13612 2/20 0.47
CTSS P25774 6/20 0.47
CTSK P43235 5/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
KMT2A Q03164 1/20 0.47
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
BCL2 P10415 1/20 0.46
ACE P12821 1/20 0.45
YAP1 P46937 1/20 0.44
ABCB1 P08183 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
SCHEMBL1151387 0.86 KLK5 (0.51) KLK5ITGB3ITGA2BHDAC8PTPN1
SCHEMBL1151389 0.86 KLK5 (0.51) KLK5ITGB3ITGA2BHDAC8PTPN1
SCHEMBL29721250 0.86 KLK5 (0.61) KLK5ITGB3ITGA2BHDAC8PTPN1
SCHEMBL2294118 0.86 KLK5 (0.61) KLK5ITGB3ITGA2BHDAC8PTPN1
SCHEMBL2294112 0.86 KLK5 (0.61) KLK5ITGB3ITGA2BHDAC8PTPN1
SCHEMBL29103443 0.86 KLK5 (0.61) KLK5ITGB3ITGA2BHDAC8PTPN1
SCHEMBL4086307 0.84 KLK5 (0.48) KLK5HDAC8
SCHEMBL8213080 0.84 KLK5 (0.48) KLK5HDAC8
SCHEMBL2292773 0.83 ITGB3 (0.60) KLK5ITGB3ITGA2BHDAC8PTPN1
SCHEMBL2292769 0.83 ITGB3 (0.60) KLK5ITGB3ITGA2BHDAC8PTPN1

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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents CELLTECH R&D LIMITED (GB) 2003-08-28 US disclosed
US-6518283-B1 To modify integrin function in such a way as to beneficially modulate cell adhesion CELLTECH R&D LIMITED (GB) 2003-02-11 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-20030162799-A1 Carbocyclic oxo, carboxy amines such as 3-(4-(3,5-Dichloro-4-pyridylcarboxamido)phenyl)-2-(2-propylamino-3,4 -dioxocyclobut-1-enyl)amino)propanoic acid, used as integrin antagonists; antiinflammatory agents ICAM1, VCAM1, CCR1 KLK5 4761/4885ITGB3 10/4885ITGA2B 55/4885

“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.