SCHEMBL13601982

SCHEMBL13601982

O=C(NCc1ccc2c(c1)OCO2)Oc1ccc(C[C@H](NC(=O)c2ccccc2Cl)C(=O)O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 6/20 0.65
ITGB1 P05556 5/20 0.65
ITGB7 P26010 5/20 0.65
ALDH1A1 P00352 2/20 0.63
HTT P42858 1/20 0.63
ALDH2 P05091 1/20 0.50
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
POLB P06746 2/20 0.48
MME P08473 1/20 0.47
ACE P12821 1/20 0.47
HPGD P15428 2/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL13601974 0.86 ITGB1 (0.81) ITGA4ITGB1ITGB7ALDH1A1
SCHEMBL8279358 0.83 ITGB1 (0.75) ITGA4ITGB1ITGB7ALDH1A1KMT2A
SCHEMBL8279357 0.82 ITGB1 (0.69) ITGA4ITGB1ITGB7POLB
SCHEMBL9371939 0.79 ALDH1A1 (1.00) ALDH1A1HTTMEN1KMT2AHPGD
SCHEMBL8278429 0.79 ITGB1 (1.00) ITGA4ITGB1ITGB7
SCHEMBL13601977 0.79 ITGB1 (1.00) ITGA4ITGB1ITGB7KMT2A
SCHEMBL13601952 0.78 ITGB1 (1.00) ITGA4ITGB1ITGB7HPGD
SCHEMBL13601958 0.77 ITGB1 (0.76) ITGA4ITGB1ITGB7
SCHEMBL13602022 0.77 ITGB1 (0.74) ITGA4ITGB1ITGB7
SCHEMBL11750694 0.77 ITGB1 (0.72) ITGA4ITGB1ITGB7

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 ITGA4 4/4885ITGB1 7/4885ITGB7 46/4885
US-20080075719-A1 Method for Augmenting B Cell Depletion CD22, ITGAM, FCGR3B ITGA4 25/4885ITGB1 8/4885ITGB7 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.