SCHEMBL13611681

SCHEMBL13611681

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 2/20 0.46
ITGB7 P26010 2/20 0.46
LY96 Q9Y6Y9 1/20 0.41
PPARG P37231 1/20 0.41
PPARA Q07869 1/20 0.41
CACNA1B Q00975 6/20 0.40
ELANE P08246 1/20 0.40
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
NPR3 P17342 2/20 0.38
MMP1 P03956 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL12174101 0.85 ITGA4 (0.55) ITGA4ITGB7LY96PPARGPPARA
SCHEMBL31622755 0.84 ITGA4 (0.51) ITGA4ITGB7LY96PPARGPPARA
SCHEMBL14139327 0.83 ITGA4 (0.52) ITGA4ITGB7LY96CTSSCTSK
SCHEMBL13611703 0.83 ITGA4 (0.52) ITGA4ITGB7LY96CTSSCTSK
SCHEMBL25798312 0.80 ITGA4 (0.65) ITGA4ITGB7CTSSCTSKPOLB
SCHEMBL3900446 0.76 PPARG (0.46) PPARGPPARAELANEITGB3ITGA2B
SCHEMBL3900448 0.76 ATM (0.47) PPARGPPARAELANEITGB3ITGA2B
SCHEMBL10604728 0.76 CTSS (0.48) ITGA4ITGB7LY96CTSSCTSK
SCHEMBL27494388 0.76 CTSS (0.48) ITGA4ITGB7LY96CTSSCTSK
SCHEMBL8341403 0.76 ITGA4 (0.46) ITGA4ITGB7LY96ITGB3ITGA2B

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 1642/4885LY96 2513/4885

“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.