SCHEMBL4954960

SCHEMBL4954960

CC(C)(C)OC(=O)N(I)[C@@H](Cc1ccc(O)cc1I)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ NQO2 P16083 1/20 0.34
▸ ITGA4 P13612 1/20 0.34
▸ ITGB7 P26010 1/20 0.34
▸ HTR6 P50406 1/20 0.33
▸ PCNA P12004 1/20 0.32
▸ SLC7A5 Q01650 1/20 0.32
▸ CTSS P25774 1/20 0.32
▸ CTSK P43235 1/20 0.32
▸ PTPN1 P18031 1/20 0.31
▸ ESR2 Q92731 1/20 0.30

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
SCHEMBL26122075 0.82 CTSS (0.44) ITGA4ITGB7SLC7A5CTSSCTSK
SCHEMBL26122077 0.82 CTSS (0.44) ITGA4ITGB7SLC7A5CTSSCTSK
SCHEMBL29641584 0.82 CTSS (0.44) ITGA4ITGB7SLC7A5CTSSCTSK
SCHEMBL9522866 0.82 PCNA (0.36) PCNASLC7A5
SCHEMBL9522476 0.80 PCNA (0.37) PCNASLC7A5
SCHEMBL29286182 0.79 MTNR1A (0.33) MTNR1AMTNR1BITGA4ITGB7SLC7A5
SCHEMBL29286181 0.79 MTNR1A (0.33) MTNR1AMTNR1BITGA4ITGB7SLC7A5
SCHEMBL1133432 0.79 PCNA (0.36) PCNASLC7A5
SCHEMBL874767 0.79 PCNA (0.36) PCNASLC7A5
SCHEMBL22468340 0.77 PCNA (0.35) PCNASLC7A5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080318842-A1 Cyclic Isodityrosine Derivatives KEIO UNIVERSITY (JP) 2008-12-25 — — 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-20080318842-A1 Cyclic Isodityrosine Derivatives NR1H4, OAT, CYP3A5 MTNR1A 2674/4885MTNR1B 2163/4885EGFR 1639/4885

“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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