SCHEMBL5870520

SCHEMBL5870520

CCc1ccc(COS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.56
CA1 P00915 2/20 0.56
CA9 Q16790 2/20 0.56
ALDH1A1 P00352 4/20 0.48
MAPT P10636 2/20 0.48
KDM4E B2RXH2 1/20 0.48
F2 P00734 1/20 0.48
VDR P11473 1/20 0.48
HCRTR2 O43614 1/20 0.42
AGXT P21549 2/20 0.41
POLB P06746 1/20 0.41
GAA P10253 2/20 0.41
STAT3 P40763 1/20 0.40
HTR6 P50406 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL6859827 0.93 CA2 (0.63) CA2CA1CA9ALDH1A1MAPT
SCHEMBL8052920 0.93 CA2 (0.63) CA2CA1CA9ALDH1A1MAPT
SCHEMBL18843583 0.87 CA1 (0.53) CA2CA1CA9MAPTHCRTR2
SCHEMBL14948426 0.87 CA1 (0.53) CA2CA1CA9MAPTHCRTR2
SCHEMBL7890851 0.86 CA2 (0.56) CA2CA1CA9ALDH1A1MAPT
SCHEMBL10725565 0.86 CA2 (0.45) CA2CA1CA9ALDH1A1MAPT
SCHEMBL14266859 0.85 CA2 (0.54) CA2CA1CA9ALDH1A1MAPT
SCHEMBL19067740 0.85 CA2 (0.54) CA2CA1CA9ALDH1A1MAPT
SCHEMBL5697490 0.85 GAA (0.55) CA2CA1CA9ALDH1A1MAPT
SCHEMBL7909564 0.85 CA2 (0.54) CA2CA1CA9ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US claimed
US-9642360-B2 Antimicrobial polymers formed by bulk polyaddition INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2017-05-09 US disclosed
US-20170094964-A1 ANTIMICROBIAL POLYMERS FORMED BY BULK POLYADDITION INTERNATIONAL BUSINESS MACHINES CORPORATION 2017-04-06 US disclosed
US-20160374335-A1 ANTIMICROBIAL POLYMERS FORMED BY BULK POLYADDITION AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2016-12-29 US disclosed
US-7001973-B2 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2006-02-21 US disclosed
US-20030187178-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2003-10-02 US disclosed
US-6613863-B2 Benzyltrialkylammonium carboxylate isocyanate trimerization catalysts DEGUSSA AG (DE) 2003-09-02 US disclosed
US-20020120089-A1 Catalyst and process for preparing low-viscosity and color-reduced polyisocyanates containing isocyanurate groups DEGUSSA AG (DE) 2002-08-29 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 (2 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-20170094964-A1 ANTIMICROBIAL POLYMERS FORMED BY BULK POLYADDITION PARG, PARN, PUF60 CA2 3437/4885CA1 4431/4885CA9 3375/4885
US-20160374335-A1 ANTIMICROBIAL POLYMERS FORMED BY BULK POLYADDITION PARG, PARN, PUF60 CA2 3437/4885CA1 4431/4885CA9 3375/4885

“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.