SCHEMBL10032701

SCHEMBL10032701

Cc1oc(C(C)C)cc(=S)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
PTGS1 P23219 3/20 0.34
PTGS2 P35354 1/20 0.34
RNASEH1 O60930 1/20 0.33
TRPA1 O75762 2/20 0.32
LMNA P02545 2/20 0.32
SLC6A2 P23975 2/20 0.32
HTR2B P41595 2/20 0.32
CACNA1C Q13936 1/20 0.32
CHRM1 P11229 1/20 0.32
ADRA1A P35348 1/20 0.32
GABRA1 P14867 4/20 0.32
GABRB1 P18505 4/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
GABRB2 P47870 2/20 0.32
FAAH O00519 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 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
SCHEMBL8270273 0.76 ALOX5 (0.45) ALOX5PTGS1PTGS2LMNACA1
SCHEMBL8270272 0.75 RNASEH1 (0.46) PTGS1PTGS2RNASEH1LMNACA1
SCHEMBL12848813 0.72 CA1 (0.35) ALOX5TRPA1LMNASLC6A2HTR2B
SCHEMBL13208643 0.69 MEN1 (0.36) ALOX5PTGS1PTGS2LMNACA1
SCHEMBL8230453 0.67 TAS1R3 (0.32) PTGS1TRPA1LMNACACNA1CNPC1
SCHEMBL5164773 0.64
SCHEMBL8270285 0.64 MMP2 (0.40) ALOX5PTGS1RNASEH1TRPA1LMNA
SCHEMBL24478080 0.62 ALDH1A1 (0.31) CYP3A4
SCHEMBL11718003 0.62 MAPT (0.50) HPGDTSHRNPC1GAARAB9A
SCHEMBL12151253 0.61 TSHR (0.33) ALOX5CYP1A2HPGDTSHRMCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8318945-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-11-27 US disclosed
US-20120041032-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) 2012-02-16 US disclosed
US-8008510-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-08-30 US disclosed
US-7786316-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-08-31 US disclosed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 US disclosed
US-20100173952-A1 METALLOPROTEIN INHIBITORS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2010-07-08 US disclosed
US-7705164-B2 Metalloprotein inhibitors THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-04-27 US disclosed
US-20090286987-A1 METALLOPROTEIN INHIBITORS REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2009-11-19 US disclosed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 US disclosed
US-20080161362-A1 Metalloprotein Inhibitors REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) 2008-07-03 US 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 (4 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-20090286987-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALOX5 1433/4885PTGS1 285/4885PTGS2 580/4885
US-20080161362-A1 Metalloprotein Inhibitors SOD1, ZFX, SOD3 ALOX5 1433/4885PTGS1 285/4885PTGS2 580/4885
US-20100173952-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALOX5 1433/4885PTGS1 285/4885PTGS2 580/4885
US-20120041032-A1 METALLOPROTEIN INHIBITORS SOD1, ZFX, SOD3 ALOX5 1433/4885PTGS1 285/4885PTGS2 580/4885

“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.