SCHEMBL13601998

SCHEMBL13601998

O=C(N[C@@H](Cc1ccc(OC(=O)N2CCc3ccccc3C2)cc1)C(=O)O)c1ccccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 12/20 0.75
ITGA4 P13612 11/20 0.75
ITGB7 P26010 10/20 0.75
KMT2A Q03164 1/20 0.52
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
ITGA5 P08648 1/20 0.47
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
TACR1 P25103 1/20 0.43

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
SCHEMBL8279369 0.91 ITGB1 (0.65) ITGB1ITGA4ITGB7KMT2ARAB9A
SCHEMBL13602018 0.89 ITGB1 (0.70) ITGB1ITGA4ITGB7KMT2AHCRTR1
SCHEMBL13601993 0.87 ITGB1 (0.84) ITGB1ITGA4ITGB7KMT2AALDH1A1
SCHEMBL13602106 0.86 ITGB1 (1.00) ITGB1ITGA4ITGB7KMT2AITGB3
SCHEMBL13602017 0.86 ITGB1 (0.82) ITGB1ITGA4ITGB7KMT2AALDH1A1
SCHEMBL13602006 0.84 ITGB1 (0.79) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL8278642 0.84 ITGA4 (0.79) ITGB1ITGA4ITGB7KMT2ARAB9A
SCHEMBL13601997 0.82 ITGB1 (0.81) ITGB1ITGA4ITGB7ITGB3ITGAV
SCHEMBL8278643 0.80 ITGB1 (0.67) ITGB1ITGA4ITGB7KMT2AALDH1A1
SCHEMBL11750694 0.79 ITGB1 (0.72) ITGB1ITGA4ITGB7ITGB3ITGAV

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.