SCHEMBL8246799

SCHEMBL8246799

COC(=O)[C@H](CNC(=O)NCc1ccccc1)NC(=O)[C@@H]1C[C@@H](OC(C)(C)C)CN1C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 7/20 0.39
FDFT1 P37268 1/20 0.39
ATM Q13315 2/20 0.38
ITGB1 P05556 4/20 0.38
ITGA2 P17301 4/20 0.38
ITGA4 P13612 1/20 0.38
CFD P00746 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
NR1I2 O75469 1/20 0.35

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
SCHEMBL13700636 0.94 ITGB1 (0.39) MCL1FDFT1ITGB1ITGA2ITGA4
SCHEMBL12084396 0.88 CFD (0.38) MCL1FDFT1CFD
SCHEMBL13700380 0.83 ITGB1 (0.49) ATMITGB1ITGA2ITGA4
SCHEMBL15111797 0.80 CFD (0.41) MCL1CFD
SCHEMBL15111798 0.80 CFD (0.41) MCL1CFD
SCHEMBL13700377 0.79 ITGB1 (0.55) MCL1ATMITGB1ITGA2ITGA4
SCHEMBL30849269 0.79 KMT2A (0.39) MCL1
SCHEMBL23824492 0.79 CTSS (0.38)
SCHEMBL23824493 0.79 CTSS (0.38)
SCHEMBL30009104 0.79 CTSS (0.38)

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-20090233968-A1 INHIBITORS OF THE ALPHA2BETA1/GPIa-IIA INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2009-09-17 US disclosed
WO-2006133338-A1 INHIBITORS OF THE α2β1/GPIa-IIa INTEGRIN THE TRUSTEES OF THE UNIVERSITY OF PENNESYLVANIA (US) 2006-12-14 WO 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 MCL1 2112/4885FDFT1 4219/4885ATM 4309/4885

“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.