SCHEMBL2951695

SCHEMBL2951695

N[C@@H](Cc1ccc(OC(=O)N2CCCC2)cc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ POLB P06746 1/20 0.59
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ MEN1 O00255 5/20 0.54
▸ KMT2A Q03164 5/20 0.54
▸ LMNA P02545 3/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ NPC1 O15118 3/20 0.52
▸ SLC7A5 Q01650 3/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ MAPT P10636 4/20 0.49
▸ HTT P42858 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ ITGB3 P05106 1/20 0.49
▸ ITGA2B P08514 1/20 0.49
▸ PTGS1 P23219 2/20 0.49
▸ ALPI P09923 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ XIAP P98170 1/20 0.49
▸ ITGB1 P05556 2/20 0.46

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
SCHEMBL5009929 0.99 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL5013682 0.97 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL8060168 0.88 ITGB1 (0.57) ALDH1A1POLBSLC7A5PTPN1MAPT
SCHEMBL21690440 0.88 KMT2A (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL8058266 0.88 PTPN1 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL2857963 0.88 ITGB1 (0.57) ALDH1A1POLBSLC7A5PTPN1MAPT
SCHEMBL8058263 0.88 PTPN1 (0.47) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL21689918 0.88 KMT2A (0.58) ALDH1A1SMN1; SMN2MEN1KMT2ANPSR1
SCHEMBL17822347 0.85 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL17822346 0.85 ALDH1A1 (0.55) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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-1940827-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-07-09 — — EP claimed
EP-1940826-A1 PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-07-09 — — EP claimed
WO-2007041270-A1 PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-12 — — WO claimed
WO-2007041324-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-12 — — WO claimed
WO-2025106386-A1 A CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2025-05-22 — — WO disclosed
US-20250152658-A1 CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA MERCK SHARP & DOHME LLC (US) 2025-05-15 — — US disclosed
EP-2231185-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS Elan Pharmaceuticals Inc. (US) 2010-09-29 — — EP disclosed
WO-2009075806-A1 METHODS AND COMPOSITIONS FOR TREATING LIQUID TUMORS ELAN PHARMACEUTICALS, INC. (US) 2009-06-18 — — WO disclosed
EP-2007392-A2 METHODS OF TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES WITH ALPHA-4 INHIBITORY COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2008-12-31 — — EP disclosed
EP-1940827-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 Elan Pharmaceuticals Inc. (US) 2008-07-09 — — EP disclosed
WO-2007100763-A2 METHODS OF TREATING INFLAMMATORY AND AUTOIMMUNE DISEASES WITH ALPHA-4 INHIBITORY COMPOUNDS ELAN PHARMACEUTICALS, INC. (US) 2007-09-07 — — WO disclosed
WO-2007041324-A1 CARBAMATE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 ELAN PHARMACEUTICALS, INC. (US) 2007-04-12 — — 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-20250152658-A1 CYCLIC PEPTIDE FOR TRAPPING INTERLEUKIN-1 BETA IL1R1, IL1A, IL1B ALDH1A1 1340/4885POLB 3499/4885SMN1; SMN2 3280/4885

“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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