SCHEMBL2429149

SCHEMBL2429149

O=C(O)Cc1ccc(NC(=O)c2nccc3ccccc23)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 3/20 0.55
▸ ITGA4 P13612 3/20 0.55
▸ RAB9A P51151 1/20 0.50
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AKR1B1 P15121 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ CCR3 P51677 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ AURKA O14965 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL12327294 0.88 ITGB1 (0.53) ITGB1ITGA4RAB9AMAPTMEN1
SCHEMBL14591845 0.87 ITGA4 (0.51) ITGB1ITGA4RAB9AMAPTMEN1
SCHEMBL2433435 0.87 RAB9A (0.50) ITGB1ITGA4RAB9AMAPTMEN1
SCHEMBL2433025 0.86 ITGB1 (0.46) ITGB1ITGA4TP53HDAC3HDAC1
SCHEMBL2440170 0.82 ITGB1 (0.58) ITGB1ITGA4RAB9AMAPTMEN1
SCHEMBL91540 0.81 RAB9A (0.55) RAB9AMAPTMEN1TP53TSHR
SCHEMBL2429653 0.78 AKR1B1 (0.46) ITGB1ITGA4RAB9AMAPTMEN1
SCHEMBL2430930 0.78 ITGB1 (0.55) ITGB1ITGA4MAPTTP53POLB
SCHEMBL12327297 0.78 ITGA4 (0.75) ITGB1ITGA4
SCHEMBL12327302 0.77 ITGA4 (0.68) ITGB1ITGA4CCR3

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 13 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
EP-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed
CN-100471838-C VLA-4 inhibitors DAIICHI SEIYAKU CO (JP) 2009-03-25 — — CN disclosed
CN-100396680-C Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2008-06-25 — — CN 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
CN-1699363-A Vla-4 inhibitors DAICHI PHARMACEUTICAL CO LTD (JP) 2005-11-23 — — CN disclosed
US-20040110945-A1 Vla-4 inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-10 — — US disclosed
CN-1483024-A Vla-4 inhibitors ��һ��������ҩ��ʽ���� 2004-03-17 — — CN 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 4/4885RAB9A 2530/4885
US-20070149606-A1 Process for producing phenylacetic acid derivative UGT1A4, VPS4B, CYP3A4 ITGB1 1987/4885ITGA4 106/4885RAB9A 3214/4885

“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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