SCHEMBL12018129

SCHEMBL12018129

CS(=O)(=O)N[C@@H]1CCC[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.43
MMP13 P45452 1/20 0.43
HCRTR2 O43614 17/20 0.35
POLB P06746 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL12017976 1.00 MMP2 (0.43) MMP2MMP13HCRTR2POLBNPSR1
SCHEMBL5376182 0.96 MMP2 (0.40) MMP2MMP13HCRTR2POLBNPSR1
SCHEMBL12017966 0.96 MMP2 (0.40) MMP2MMP13HCRTR2POLBNPSR1
SCHEMBL12017953 0.96 MMP2 (0.40) MMP2MMP13HCRTR2POLBNPSR1
SCHEMBL12017977 0.96 MMP2 (0.40) MMP2MMP13HCRTR2POLBNPSR1
SCHEMBL4836161 0.79 POLB (0.41) HCRTR2POLBNPSR1
SCHEMBL4836171 0.79 POLB (0.41) HCRTR2POLBNPSR1
SCHEMBL4836163 0.79 POLB (0.41) HCRTR2POLBNPSR1
SCHEMBL23260491 0.78 MMP2 (0.43) MMP2MMP13
SCHEMBL6240331 0.78 GRIA4 (0.51) MMP2MMP13HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263585-B2 Organic compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
US-8263585-B2 Organic compounds NOVARTIS AG (CH) 2012-09-11 US disclosed
EP-2173722-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20090163463-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
US-20090163463-A1 Organic Compounds NOVARTIS AG 2009-06-25 US disclosed
WO-2009013348-A2 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF INFLAMMATORY OR ALLERGIC CONDITIONS NOVARTIS AG (CH) 2009-01-29 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-20090163463-A1 Organic Compounds PIK3C3, PIK3CA, MTOR MMP2 2332/4885MMP13 1448/4885HCRTR2 2216/4885

“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.