SCHEMBL5202065

SCHEMBL5202065

CC(C)(C)OC(=O)N[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)C(C)(C(=O)O)C1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.49
STS P08842 1/20 0.43
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.40
SIRT1 Q96EB6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL5204551 1.00 RORC (0.49) RORCSTSKMT2AMEN1SIRT2
SCHEMBL5202070 1.00 RORC (0.49) RORCSTSKMT2AMEN1SIRT2
SCHEMBL6793605 0.92 RORC (0.48) RORCSTSSIRT2SIRT1CCR5
SCHEMBL6793598 0.92 RORC (0.48) RORCSTSSIRT2SIRT1CCR5
SCHEMBL5203325 0.90 STS (0.39) RORCSTSKMT2AL3MBTL1CCR5
SCHEMBL5203332 0.90 STS (0.39) RORCSTSKMT2AL3MBTL1CCR5
SCHEMBL6296895 0.78 MEN1 (0.49) RORCKMT2AMEN1
SCHEMBL6296896 0.78 MEN1 (0.49) RORCKMT2AMEN1
SCHEMBL5201579 0.78 MEN1 (0.49) RORCKMT2AMEN1
SCHEMBL5323846 0.78 MEN1 (0.49) RORCKMT2AMEN1

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 RORC 457/4885STS 1122/4885KMT2A 1121/4885

“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.