SCHEMBL5206643

SCHEMBL5206643

O=C(O)C1NCCC1c1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.44
OPRD1 P41143 2/20 0.40
MEN1 O00255 1/20 0.38
BLM P54132 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM1A O60341 1/20 0.37
ESR2 Q92731 1/20 0.37

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
SCHEMBL22926349 1.00 SLC1A2 (0.44) SLC1A2OPRD1MEN1BLMKMT2A
SCHEMBL5206646 1.00 SLC1A2 (0.44) SLC1A2OPRD1MEN1BLMKMT2A
Bromide SCHEMBL23492942 0.98 SLC1A2 (0.43) SLC1A2OPRD1MEN1BLMKMT2A
Bromide SCHEMBL23492943 0.98 SLC1A2 (0.43) SLC1A2OPRD1MEN1BLMKMT2A
SCHEMBL199462 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL199461 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL4780406 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL350996 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL199463 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A
SCHEMBL5203561 0.86 SLC1A2 (0.47) SLC1A2MEN1BLMKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1389200-A4 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO INC (US) 2007-03-28 EP disclosed
US-6943180-B2 Substituted N-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. (US) 2005-09-13 US disclosed
US-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors MERCK & CO., INC. 2004-05-27 US disclosed
EP-1389200-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS Merck & Co., Inc. (US) 2004-02-18 EP disclosed
WO-2002074761-A1 SUBSTITUTED N-ARYLSULFONYL-PROLINE DERIVATIVES AS POTENT CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2002-09-26 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-20040102478-A1 Substituted n-arylsulfonyl-proline derivatives as potent cell adhesion inhibitors VCAM1, CD4, ICAM1 SLC1A2 639/4885OPRD1 3448/4885MEN1 353/4885

“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.