SCHEMBL2438239

SCHEMBL2438239

Cc1ccc2nc(Nc3ccc(CC(=O)O)cc3Cl)sc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.57
ITGA4 P13612 3/20 0.57
CSNK1D P48730 3/20 0.54
NPC1 O15118 7/20 0.51
RAB9A P51151 7/20 0.51
MITF O75030 1/20 0.51
POLB P06746 1/20 0.51
APEX1 P27695 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
DYRK1A Q13627 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
HPGD P15428 1/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
TP53 P04637 3/20 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
SCHEMBL14626748 0.91 ITGB1 (0.55) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL14592260 0.89 ITGB1 (0.55) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL2432249 0.89 ITGB1 (0.55) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL14591864 0.89 ITGB1 (0.53) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL2432703 0.87 ITGB1 (0.57) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL2429122 0.85 ITGB1 (0.54) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL14626749 0.81 DYRK1A (0.56) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL2435534 0.81 RAB9A (0.59) CSNK1DNPC1RAB9AMITFPOLB
SCHEMBL2433405 0.80 ITGB1 (0.57) ITGB1ITGA4CSNK1DNPC1RAB9A
SCHEMBL2435086 0.80 ITGB1 (0.55) ITGB1ITGA4CSNK1DTDP1KMT2A

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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 EP disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 US disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 US disclosed
EP-1346982-A1 VLA-4 INHIBITORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-09-24 EP 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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885CSNK1D 1461/4885

“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.