SCHEMBL5201573

SCHEMBL5201573

CC1(C(=O)O)C[C@H](O)CN1S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 2/20 0.46
MMP2 P08253 1/20 0.42
CHRM1 P11229 1/20 0.41
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
AKR1C3 P42330 2/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
GPR183 P32249 1/20 0.38
GRIN2B Q13224 2/20 0.37
RORC P51449 1/20 0.37
AKR1C1 Q04828 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
SCHEMBL6296895 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2CHRM1
SCHEMBL6296896 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2CHRM1
SCHEMBL5323846 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2CHRM1
SCHEMBL5201579 1.00 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2CHRM1
SCHEMBL5200881 0.88 CNR1 (0.41) MEN1KMT2AAKR1C3
SCHEMBL5201586 0.88 CNR1 (0.41) MEN1KMT2AAKR1C3
SCHEMBL5201582 0.88 CNR1 (0.41) MEN1KMT2AAKR1C3
SCHEMBL5200884 0.88 CNR1 (0.41) MEN1KMT2AAKR1C3
SCHEMBL5201963 0.87 MEN1 (0.40) MEN1KMT2AALDH1A1MMP2CHRM1
SCHEMBL5201960 0.87 MEN1 (0.40) MEN1KMT2AALDH1A1MMP2CHRM1

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 MEN1 353/4885KMT2A 1121/4885ALDH1A1 418/4885

“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.