SCHEMBL13602007

SCHEMBL13602007

COc1cccc(CCNC(=O)Oc2ccc(C[C@H](NC(=O)c3ccccc3Cl)C(=O)O)cc2)c1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 14/20 0.81
ITGA4 P13612 13/20 0.81
ITGB7 P26010 10/20 0.81
KMT2A Q03164 1/20 0.55
TAAR1 Q96RJ0 2/20 0.52
NPC1 O15118 1/20 0.52
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
ITGB3 P05106 2/20 0.51
ITGAV P06756 2/20 0.51
ITGA5 P08648 1/20 0.51
CA1 P00915 1/20 0.46
CA2 P00918 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
SCHEMBL13602011 0.92 ITGB1 (0.89) ITGB1ITGA4ITGB7KMT2ATAAR1
SCHEMBL8279357 0.91 ITGB1 (0.69) ITGB1ITGA4ITGB7RAB9AITGB3
SCHEMBL13601977 0.90 ITGB1 (1.00) ITGB1ITGA4ITGB7KMT2ATAAR1
SCHEMBL8279122 0.89 ITGB1 (0.65) ITGB1ITGA4ITGB7KMT2AITGB3
SCHEMBL13602012 0.85 ITGB1 (0.77) ITGB1ITGA4ITGB7KMT2ATAAR1
SCHEMBL8279358 0.85 ITGB1 (0.75) ITGB1ITGA4ITGB7KMT2ANPC1
SCHEMBL8278429 0.84 ITGB1 (1.00) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL8278646 0.83 ITGB1 (0.63) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL8278645 0.83 ITGB1 (0.63) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL13601974 0.82 ITGB1 (0.81) ITGB1ITGA4ITGB7NPC1RAB9A

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.