SCHEMBL3535967

SCHEMBL3535967

C[C@H](Nc1ccc(O)cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 13/20 0.50
HCAR3 P49019 5/20 0.50
HCAR2 Q8TDS4 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
SCHEMBL3535964 1.00 DEGS1 (0.50) DEGS1HCAR3HCAR2
SCHEMBL29203312 0.83 RAB9A (0.56) HCAR3HCAR2
SCHEMBL4208146 0.81 FDPS (0.55) HCAR3
SCHEMBL3723734 0.80 HCAR3 (0.58) DEGS1HCAR3
SCHEMBL16554275 0.79 HCAR3 (0.46) DEGS1HCAR3HCAR2
SCHEMBL16554276 0.79 HCAR3 (0.46) DEGS1HCAR3HCAR2
SCHEMBL17925373 0.78 HCAR3 (0.45) DEGS1HCAR3HCAR2
SCHEMBL44234 0.74 POLB (0.55)
SCHEMBL503092 0.74 POLB (0.55)
SCHEMBL44233 0.74 POLB (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313094-A2 Anticancer agent and reagent for obtaining revertants MEIJI SEIKA KAISHA LTD. (JP) 1989-04-26 EP claimed
US-7745454-B2 Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
US-20080182850-A1 3-(HETEROARYL)ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 WYETH 2008-07-31 US disclosed
US-7365073-B2 3-(heteroaryl) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2008-04-29 US disclosed
US-20050085459-A1 Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 KONRADI ANDREI W (US) 2005-04-21 US disclosed
US-20040266763-A1 3-(heteroaryl) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 ELAN PHARMACEUTICALS, INC. 2004-12-30 US disclosed
US-6803370-B2 COMPOUNDS FOR USE IN THE TREATMENT OF ASTHMA, ALZHEIMER'S, DIABETES, ATHEROSCLEROSIS, INFLAMMATORY BOWEL DISEASE, ARTHRITIS, TUMOR METASTASIS, ISCHEMIA AND BRAIN DISORDERS ELAN PHARMACEUTICALS, INC. 2004-10-12 US disclosed
US-6794506-B2 TREATMENT OF INFLAMMATORY DISEASES, SUCH AS ASTHMA, ALZHEIMER'S DISEASE, ATHEROSCLEROSIS, AIDS DEMENTIA, DIABETES, INFLAMMATORY BOWEL DISEASE, RHEUMATOID ARTHRITIS, TISSUE TRANSPLANTATION, TUMOR METASTASIS ELAN PHARMACEUTICALS, INC. 2004-09-21 US disclosed
US-20020052470-A1 Alpha amino acid derivatives--inhibitors of leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-02 US disclosed
US-20020052375-A1 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) 2002-05-02 US disclosed
WO-2002008203-A2 3-(HETEROARYL) ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 WO disclosed
WO-2002008202-A2 ALPHA AMINO ACID DERIVATIVES--INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2002-01-31 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 (5 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-20050085459-A1 Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 DEGS1 3045/4885HCAR3 939/4885HCAR2 836/4885
US-20040266763-A1 3-(heteroaryl) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, AADAT, ICAM1 DEGS1 4197/4885HCAR3 226/4885HCAR2 332/4885
US-20080182850-A1 3-(HETEROARYL)ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 VCAM1, AADAT, ICAM1 DEGS1 4197/4885HCAR3 226/4885HCAR2 332/4885
US-20020052375-A1 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, ITGAL DEGS1 3911/4885HCAR3 186/4885HCAR2 300/4885
US-20020052470-A1 Alpha amino acid derivatives--inhibitors of leukocyte adhesion mediated by VLA-4 VCAM1, ICAM1, CD4 DEGS1 2910/4885HCAR3 973/4885HCAR2 883/4885

“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.