SCHEMBL2430930

SCHEMBL2430930

O=C(O)Cc1ccc(NC(=O)c2nsc3ccccc23)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 1/20 0.55
▸ ITGA4 P13612 1/20 0.55
▸ MAPT P10636 13/20 0.53
▸ POLB P06746 1/20 0.53
▸ LMNA P02545 6/20 0.53
▸ TP53 P04637 10/20 0.52
▸ RXFP1 Q9HBX9 2/20 0.49

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
SCHEMBL14591885 0.87 MAPT (0.52) ITGB1ITGA4MAPTPOLBLMNA
SCHEMBL2431349 0.82 ITGB1 (0.58) ITGB1ITGA4MAPTPOLBLMNA
SCHEMBL92533 0.81 MAPT (0.60) MAPTPOLBLMNATP53
SCHEMBL73096 0.79 PTGDR2 (0.52) MAPTPOLBLMNATP53
SCHEMBL2429149 0.78 ITGB1 (0.55) ITGB1ITGA4MAPTPOLBTP53
SCHEMBL92543 0.77 MAPT (0.63) MAPTPOLBLMNATP53
SCHEMBL2437061 0.76 KDM4E (0.48) POLBLMNA
SCHEMBL14626739 0.74 ITGB1 (0.55) ITGB1ITGA4MAPTPOLBLMNA
SCHEMBL2433232 0.74 ITGB1 (0.62) ITGB1ITGA4MAPTPOLBLMNA
SCHEMBL2436159 0.74 ITGB1 (0.55) ITGB1ITGA4POLB

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 9 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-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 — — US disclosed
US-20070149606-A1 Process for producing phenylacetic acid derivative DAIICHI PHARMACEUTICAL CO.,LTD. (JP) 2007-06-28 — — 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-7157487-B2 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-01-02 — — US disclosed
EP-1698611-A1 PROCESS FOR PRODUCING PHENYLACETIC ACID DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 — — EP 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 (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-20040110945-A1 Vla-4 inhibitors VCAM1, ITGA1, ITGB4 ITGB1 5/4885ITGA4 4/4885MAPT 4631/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885MAPT 2970/4885

“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.

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