SCHEMBL3145617

SCHEMBL3145617

NS(=O)(=O)c1cccc2ccc3ccccc3c12

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 7/20 0.74
CA1 P00915 6/20 0.74
CA9 Q16790 5/20 0.74
F2 P00734 3/20 0.51
PRSS1 P07477 3/20 0.51
PRSS2 P07478 3/20 0.51
PRSS3 P35030 3/20 0.51
CDK2 P24941 1/20 0.50
CA12 O43570 3/20 0.49
HTR6 P50406 1/20 0.47
CA4 P22748 2/20 0.47
CA6 P23280 2/20 0.47
CYP2C9 P11712 1/20 0.47
CA5A P35218 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
GLO1 Q04760 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46

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
SCHEMBL28464 0.85 CA2 (1.00) CA2CA1CA9F2PRSS1
SCHEMBL29529240 0.85 CA2 (1.00) CA2CA1CA9F2PRSS1
Ammonia Solution, Strong SCHEMBL28028391 0.83 CA2 (0.96) CA2CA1CA9F2PRSS1
Hydrochloric Acid SCHEMBL951327 0.83 CA2 (0.96) CA2CA1CA9F2PRSS1
Benzene SCHEMBL11062753 0.83 CA2 (0.96) CA2CA1CA9F2PRSS1
SCHEMBL27901054 0.83 CA2 (0.96) CA2CA1CA9F2PRSS1
SCHEMBL3149642 0.82 CA2 (0.78) CA2CA1CA9F2PRSS1
SCHEMBL15851413 0.82 TTR (0.54) CA2CA1CA9F2PRSS1
Hydrochloric Acid SCHEMBL8125684 0.82 CA2 (0.92) CA2CA1CA9F2PRSS1
SCHEMBL27658465 0.78 CA1 (0.55) CA2CA1CA9F2PRSS1

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-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

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 783/4885CA1 1072/4885CA9 375/4885
US-20090043100-A1 Process for Producing Optically Active Chromene Oxide Compound CYP2C19, CYP2C9, CYP1A2 CA2 338/4885CA1 1412/4885CA9 701/4885

“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.