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SCHEMBL10165443

SCHEMBL10165443

COC(=O)NS(=O)(=O)c1ccc(NC(=O)Cn2ccc3cccc(Cl)c32)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPY5R Q15761 1/20 0.44
▸ CA1 P00915 2/20 0.43
▸ CA2 P00918 2/20 0.43
▸ CA4 P22748 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KCNA5 P22460 3/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ POLB P06746 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ TSHR P16473 1/20 0.39

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
SCHEMBL10165411 0.90 ALOX12 (0.41) KMT2ALMNAMEN1HTTPOLB
SCHEMBL10165492 0.88 ALDH1A1 (0.42) CA1CA2CA4CA9KMT2A
SCHEMBL10165440 0.81 RORC (0.48) NPY5RKCNA5KCNH2ALDH1A1SMN1; SMN2
SCHEMBL10165494 0.81 TRAF6 (0.46) NPY5RCA1CA2CA4CA9
SCHEMBL10165427 0.80 KCNA5 (0.46) KMT2ALMNAKCNA5ALDH1A1SMN1; SMN2
SCHEMBL9974116 0.79 ALDH1A1 (0.61) KMT2ALMNAMEN1HTTPOLB
SCHEMBL10165422 0.78 NPY5R (0.44) NPY5RCA1CA2CA4CA9
SCHEMBL1102119 0.78 SCN9A (0.48) KMT2ALMNAMEN1HTTPOLB
SCHEMBL10165442 0.77 RORC (0.48) NPY5RKMT2ALMNAPOLBALDH1A1
SCHEMBL10165420 0.77 MTNR1A (0.48) KMT2ALMNAMEN1KCNA5KCNH2

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-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 — — US disclosed
US-8883766-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-11 — — US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 — — US disclosed
US-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-16 — — US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — US disclosed
US-8193194-B2 Ion channel modulators and methods of use VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-06-05 — — US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 — — US disclosed
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE VERTEX PHARMACEUTICALS INCORPORATED 2008-11-27 — — 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-20120208790-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B NPY5R 1699/4885CA1 916/4885CA2 192/4885
US-20080293737-A1 ION CHANNEL MODULATORS AND METHODS OF USE CACNA1G, CACNA1C, CACNA1B NPY5R 1699/4885CA1 916/4885CA2 192/4885

“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.