SCHEMBL5201963

SCHEMBL5201963

COC(=O)[C@]1(C)CC(O)CN1S(=O)(=O)c1cccc(Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 1/20 0.40
MMP2 P08253 1/20 0.40
ADAM17 P78536 3/20 0.39
MMP1 P03956 2/20 0.39
MMP13 P45452 2/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
STS P08842 1/20 0.37
GRM5 P41594 1/20 0.37
RORC P51449 2/20 0.37
AKR1C3 P42330 1/20 0.37
HTT P42858 1/20 0.37
CHRM1 P11229 1/20 0.37
PGR P06401 1/20 0.36
FBP1 P09467 1/20 0.36

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
SCHEMBL5201960 1.00 MEN1 (0.40) MEN1KMT2AALDH1A1MMP2ADAM17
SCHEMBL6793873 0.89 ADAM17 (0.37) ADAM17MMP1MMP13ADAMTS4ADAMTS5
SCHEMBL6793869 0.89 ADAM17 (0.37) ADAM17MMP1MMP13ADAMTS4ADAMTS5
SCHEMBL5323846 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2HCRTR1
SCHEMBL6296895 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2HCRTR1
SCHEMBL6296896 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2HCRTR1
SCHEMBL5201579 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2HCRTR1
SCHEMBL5201573 0.87 MEN1 (0.49) MEN1KMT2AALDH1A1MMP2HCRTR1
SCHEMBL6793605 0.81 RORC (0.48) STSRORC
SCHEMBL6793598 0.81 RORC (0.48) STSRORC

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.