SCHEMBL13602018

SCHEMBL13602018

COc1cc2c(cc1OC)CN(C(=O)Oc1ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)O)cc1)CC2

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 7/20 0.70
ITGA4 P13612 7/20 0.70
ITGB7 P26010 6/20 0.70
HCRTR2 O43614 8/20 0.59
HCRTR1 O43613 5/20 0.59
POLB P06746 1/20 0.48
PDE4B Q07343 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPC1 O15118 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL13601998 0.89 ITGB1 (0.75) ITGB1ITGA4ITGB7HCRTR2HCRTR1
SCHEMBL8279363 0.85 ITGB1 (0.62) ITGB1ITGA4ITGB7HCRTR2HCRTR1
SCHEMBL13602014 0.83 ITGB1 (0.60) ITGB1ITGA4ITGB7HCRTR2HCRTR1
SCHEMBL13602106 0.83 ITGB1 (1.00) ITGB1ITGA4ITGB7KMT2A
SCHEMBL13601993 0.82 ITGB1 (0.84) ITGB1ITGA4ITGB7KMT2A
SCHEMBL8279359 0.81 ITGB1 (0.57) ITGB1ITGA4ITGB7HCRTR2HCRTR1
SCHEMBL13602017 0.81 ITGB1 (0.82) ITGB1ITGA4ITGB7POLBKMT2A
SCHEMBL8279369 0.81 ITGB1 (0.65) ITGB1ITGA4ITGB7HCRTR2HCRTR1
SCHEMBL13602073 0.80 ITGB1 (0.74) ITGB1ITGA4ITGB7POLB
SCHEMBL13602006 0.79 ITGB1 (0.79) ITGB1ITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-20090325962-A1 TYROSINE DERIVATIVE GENENTECH, INC. (US) 2009-12-31 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-7595399-B2 Tyrosine derivatives GENENTECH, INC. (US) 2009-09-29 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 US disclosed
US-20080075719-A1 Method for Augmenting B Cell Depletion GENENTECH, INC. (US) 2008-03-27 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 (2 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-20090325962-A1 TYROSINE DERIVATIVE VCAM1, ICAM1, ITGB4 ITGB1 7/4885ITGA4 4/4885ITGB7 46/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ITGB1 8/4885ITGA4 25/4885ITGB7 21/4885

“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.