SCHEMBL5495635

SCHEMBL5495635

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCCNC(=O)COc2ccc(F)cc2)C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
GLA P06280 1/20 0.47
ITGA4 P13612 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 1/20 0.45
ITGB1 P05556 2/20 0.45
KMT2A Q03164 1/20 0.45
ITGA2 P17301 1/20 0.45
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
ITGA5 P08648 1/20 0.44
ATM Q13315 1/20 0.44
THRB P10828 1/20 0.43
LMNA P02545 2/20 0.43
TSHR P16473 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 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
SCHEMBL5494189 0.85 FKBP1A (0.67) FKBP1ASMN1; SMN2MAPTTDP1ITGA4
SCHEMBL5497980 0.82 FKBP1A (0.58) FKBP1ASMN1; SMN2MAPTITGA4L3MBTL1
SCHEMBL5491585 0.81 FKBP1A (0.53) FKBP1ASMN1; SMN2MAPTITGA4L3MBTL1
SCHEMBL5491587 0.81 FKBP1A (0.54) FKBP1ASMN1; SMN2ITGA4L3MBTL1RAB9A
SCHEMBL5495223 0.81 FKBP1A (0.54) FKBP1ASMN1; SMN2ITGA4L3MBTL1RAB9A
SCHEMBL5488891 0.81 FKBP1A (0.51) FKBP1ASMN1; SMN2ITGA4L3MBTL1RAB9A
SCHEMBL5492630 0.81 HCRTR1 (0.54) FKBP1ASMN1; SMN2L3MBTL1RAB9AKMT2A
SCHEMBL5492997 0.80 FKBP1A (0.57) FKBP1ASMN1; SMN2ITGA4L3MBTL1RAB9A
SCHEMBL5496177 0.80 FKBP1A (0.56) FKBP1ASMN1; SMN2ITGA4L3MBTL1ITGB1
SCHEMBL5495567 0.80 FKBP1A (0.59) FKBP1ASMN1; SMN2ITGA4L3MBTL1RAB9A

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
US-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US claimed
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 US claimed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP claimed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO claimed
US-7288526-B2 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-10-30 US disclosed
US-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-04-03 US disclosed
US-6423688-B1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ATHENA NEUROSCIENCES, INC. 2002-07-23 US disclosed
EP-1001971-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2000-05-24 EP disclosed
WO-1999006432-A1 DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 1999-02-11 WO 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-20030065185-A1 Dipeptide and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, IL4I1 FKBP1A 4722/4885SMN1; SMN2 2390/4885MAPT 1051/4885

“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.