SCHEMBL13700377

SCHEMBL13700377

COC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)C1C[C@@H](OC(C)(C)C)CN1S(=O)(=O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 8/20 0.55
ITGA2 P17301 7/20 0.55
ITGA4 P13612 2/20 0.51
ATM Q13315 2/20 0.41
MMP9 P14780 3/20 0.40
MMP1 P03956 3/20 0.40
MMP3 P08254 3/20 0.40
MMP7 P09237 3/20 0.40
MMP13 P45452 2/20 0.40
MCL1 Q07820 1/20 0.40
MMP2 P08253 1/20 0.39
FKBP1A P62942 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CAPN1 P07384 1/20 0.38
CTSB P07858 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL13700378 0.82 ITGB1 (0.72) ITGB1ITGA2ITGA4MMP9MMP2
SCHEMBL8245234 0.82 ITGB1 (0.66) ITGB1ITGA2ITGA4MMP9MMP1
SCHEMBL4259018 0.82 ITGB1 (0.66) ITGB1ITGA2ITGA4MMP9MMP1
SCHEMBL8248993 0.80 ITGB1 (0.70) ITGB1ITGA2ITGA4MMP9MMP1
SCHEMBL8246799 0.79 MCL1 (0.39) ITGB1ITGA2ITGA4ATMMCL1
SCHEMBL12084795 0.79 ITGB1 (0.71) ITGB1ITGA2ITGA4MMP1MMP2
SCHEMBL4249877 0.79 ITGB1 (0.71) ITGB1ITGA2ITGA4MMP1MMP2
SCHEMBL8245644 0.75 ITGB1 (0.64) ITGB1ITGA2ITGA4MMP9MMP2
SCHEMBL1487410 0.74 ITGB1 (0.75) ITGB1ITGA2ITGA4MMP9MMP2
SCHEMBL13700636 0.73 ITGB1 (0.39) ITGB1ITGA2ITGA4MCL1

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-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-17 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-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN ITGA2B, ITGB2, ITGA2 ITGB1 4/4885ITGA2 3/4885ITGA4 17/4885

“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.