SCHEMBL3134546

SCHEMBL3134546

CCCCC(I)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA2 P00918 18/20 0.41
TP53 P04637 1/20 0.39
CA1 P00915 13/20 0.38
CA9 Q16790 7/20 0.37
CA12 O43570 4/20 0.36
CA14 Q9ULX7 4/20 0.36
CA7 P43166 3/20 0.35
CA3 P07451 2/20 0.35
CA4 P22748 2/20 0.35
CA6 P23280 2/20 0.35
CA5A P35218 2/20 0.35
CA5B Q9Y2D0 2/20 0.35

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
SCHEMBL3263489 0.76 TP53 (0.34) CA2TP53CA1CA12CA14
SCHEMBL8715933 0.75 CA2 (0.43) CA2TP53CA1CA9CA12
SCHEMBL2185910 0.73 TP53 (0.45) CA2TP53CA1CA9CA12
SCHEMBL15562345 0.73 CA2 (0.42) CA2TP53CA1CA9CA12
SCHEMBL222613 0.73 TP53 (0.50) CA2TP53CA1CA9CA12
SCHEMBL1692881 0.71 CA2 (0.48) CA2TP53CA1CA9CA12
SCHEMBL277861 0.71 CA2 (0.45) CA2CA1CA9CA12CA14
SCHEMBL1415504 0.71 CA2 (0.41) CA2TP53CA1CA9CA12
SCHEMBL276801 0.71 CA2 (0.43) CA2TP53CA1CA9CA12
SCHEMBL28234303 0.71 CA2 (0.48) CA2TP53CA1CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8394974-B2 Process for producing optically active chromene oxide compound NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-03-12 US disclosed
US-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2010-04-01 US disclosed
EP-2133343-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-12-16 EP disclosed
EP-2003135-A9 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2009-04-22 EP disclosed
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound NISSAN CHEMICAL INDUSTRIES, LTD (JP) 2009-02-12 US disclosed
EP-2003135-A2 PROCESS FOR PRODUCING OPTICALLY ACTIVE CHROMENE OXIDE COMPOUND Nissan Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-6410584-B1 ANTICANCER AGENTS CELL PATHWAYS, INC. 2002-06-25 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-20100081808-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE EPOXY COMPOUND OSTC, EEF1D, SQLE CA2 783/4885TP53 4357/4885CA1 1072/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CA2 338/4885TP53 4306/4885CA1 1412/4885

“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.