SCHEMBL5203966

SCHEMBL5203966

CC(C)(C)OC(=O)N1C[C@@H](O)CC1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
NR1H2 P55055 1/20 0.38
EPHX2 P34913 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
RORC P51449 2/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
USP2 O75604 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PREP P48147 2/20 0.31
HPGD P15428 1/20 0.31
HSD11B1 P28845 1/20 0.31
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL1924787 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL142226 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL5153017 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL376697 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL77478 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL6491588 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3949211 1.00 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL3679572 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL4769152 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2
SCHEMBL15913256 0.88 CHRM2 (0.41) CHRM2CHRM1CHRM3NR1H2EPHX2

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 CHRM2 2078/4885CHRM1 1712/4885CHRM3 2314/4885

“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.