SCHEMBL5163670

SCHEMBL5163670

CCOC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1Cc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 6/20 0.68
ITGB1 P05556 10/20 0.61
ITGA4 P13612 10/20 0.61
KMT2A Q03164 1/20 0.51
TP53 P04637 1/20 0.50
GAA P10253 1/20 0.49
P2RX7 Q99572 1/20 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
SCHEMBL5162525 0.95 ITGB1 (0.68) CAPN1ITGB1ITGA4KMT2AGAA
SCHEMBL5163006 0.94 CAPN1 (0.64) CAPN1ITGB1ITGA4KMT2AGAA
SCHEMBL5161724 0.91 CAPN1 (0.58) CAPN1ITGB1ITGA4KMT2AGAA
SCHEMBL5165080 0.89 CAPN1 (0.56) CAPN1ITGB1ITGA4KMT2A
SCHEMBL5165158 0.88 ITGB1 (0.74) CAPN1ITGB1ITGA4P2RX7
SCHEMBL5164182 0.88 ITGB1 (0.74) CAPN1ITGB1ITGA4P2RX7
SCHEMBL5679790 0.88 CAPN1 (0.54) CAPN1ITGB1ITGA4KMT2ATP53
SCHEMBL1612436 0.87 CAPN1 (0.88) CAPN1ITGB1ITGA4
SCHEMBL288910 0.87 CAPN1 (0.88) CAPN1ITGB1ITGA4
SCHEMBL288617 0.87 CAPN1 (0.88) CAPN1ITGB1ITGA4

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1763361-A2 STEROID SPARING AGENTS AND THEIR USE Elan Pharmaceuticals, Inc. (US) 2007-03-21 EP disclosed
US-7101855-B2 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-09-05 US disclosed
EP-1144435-B1 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARM INC (US) 2006-04-12 EP disclosed
US-20060004019-A1 Steroid sparing agents and methods of using same BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2006-01-05 US disclosed
EP-1612215-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2006-01-04 EP disclosed
WO-2005097162-A2 STEROID SPARING AGENTS AND THEIR USE ELAN PHARMACEUTICALS, INC. (US) 2005-10-20 WO disclosed
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2003-02-06 US disclosed
US-6407066-B1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2002-06-18 US disclosed
EP-1144435-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals, Inc. (US) 2001-10-17 EP disclosed
WO-2000043413-A2 PYROGLUTAMIC ACID DERIVATIVES AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2000-07-27 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 (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-20060004019-A1 Steroid sparing agents and methods of using same IL5, FCER2, CD40 CAPN1 4840/4885ITGB1 305/4885ITGA4 298/4885
US-20030027771-A1 Pyroglutamic acid derivatives and related compounds which inhibit leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 CAPN1 4478/4885ITGB1 207/4885ITGA4 27/4885

“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.