SCHEMBL13611703

SCHEMBL13611703

CCNC(Cc1ccc(O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.52
ITGB7 P26010 2/20 0.52
CTSS P25774 1/20 0.52
CTSK P43235 1/20 0.52
LY96 Q9Y6Y9 1/20 0.52
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
FOLH1 Q04609 1/20 0.45
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NAALAD2 Q9Y3Q0 1/20 0.42
TSHR P16473 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
SCHEMBL14139327 0.91 ITGA4 (0.52) ITGA4ITGB7CTSSCTSKLY96
SCHEMBL31622755 0.90 ITGA4 (0.51) ITGA4ITGB7CTSSCTSKLY96
SCHEMBL27494388 0.89 CTSS (0.48) ITGA4ITGB7CTSSCTSKLY96
SCHEMBL10604728 0.89 CTSS (0.48) ITGA4ITGB7CTSSCTSKLY96
SCHEMBL25798312 0.88 ITGA4 (0.65) ITGA4ITGB7CTSSCTSKPOLB
SCHEMBL12174101 0.87 ITGA4 (0.55) ITGA4ITGB7LY96KMT2A
SCHEMBL7369588 0.87 LY96 (0.49) ITGA4ITGB7CTSSCTSKLY96
SCHEMBL27307046 0.87 LY96 (0.49) ITGA4ITGB7CTSSCTSKLY96
SCHEMBL19354815 0.87 CTSS (0.53) ITGA4ITGB7CTSSCTSKLY96
Hydrochloric Acid SCHEMBL7953381 0.86 LY96 (0.48) ITGA4ITGB7CTSSCTSKLY96

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-7612166-B2 Fluorous capping reagents and methods for peptide purification TRUSTEES OF TUFTS COLLEGE (US) 2009-11-03 US disclosed
US-20080275216-A1 Fluorous Capping Reagents and Methods for Peptide Purification TRUSTEES OF TUFTS COLLEGE (US) 2008-11-06 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-20080275216-A1 Fluorous Capping Reagents and Methods for Peptide Purification DNPEP, ANPEP, RNGTT ITGA4 1743/4885ITGB7 1642/4885CTSS 626/4885

“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.