SCHEMBL6497006

SCHEMBL6497006

COCCN(CCOC)S(=O)(=O)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
NR1I2 O75469 1/20 0.54
LMNA P02545 4/20 0.51
HTT P42858 1/20 0.51
VCAM1 P19320 1/20 0.51
RORC P51449 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
SCHEMBL19001342 0.84 MAPK1 (0.55) MAPK1NR1I2LMNAHTTRORC
SCHEMBL3821934 0.84 VCAM1 (0.54) MAPK1LMNAHTTVCAM1MEN1
SCHEMBL3181705 0.82 VCAM1 (0.52) MAPK1LMNAHTTVCAM1ALDH1A1
SCHEMBL3153575 0.82 VCAM1 (0.52) MAPK1LMNAHTTVCAM1ALDH1A1
SCHEMBL6749735 0.82 VCAM1 (0.49) MAPK1NR1I2LMNAHTTVCAM1
SCHEMBL17230528 0.82 VCAM1 (0.52) MAPK1LMNAHTTVCAM1ALDH1A1
SCHEMBL17230532 0.82 BMP1 (0.55) LMNAHTTVCAM1ALDH1A1SMN1; SMN2
SCHEMBL6122525 0.81 KMT2A (0.56) MAPK1MEN1KMT2A
SCHEMBL7757753 0.81 MAPK1 (0.49) MAPK1NR1I2LMNAHTTKMT2A
SCHEMBL18997833 0.81 MAPK1 (0.52) MAPK1NR1I2LMNAHTTRORC

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-8575205-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2013-11-05 US disclosed
US-8263808-B2 Method for deprotecting aryl or alkyl sulfonamides of primary or secondary amines SIGNA CHEMISTRY, INC. (US) 2012-09-11 US disclosed
US-8263808-B2 Method for deprotecting aryl or alkyl sulfonamides of primary or secondary amines SIGNA CHEMISTRY, INC. (US) 2012-09-11 US disclosed
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES NITZ THEODORE J (US) 2012-07-19 US disclosed
US-8202896-B2 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. (US) 2012-06-19 US disclosed
US-20090306391-A1 METHOD FOR DEPROTECTING ARYL OR ALKYL SULFONAMIDES OF PRIMARY OR SECONDARY AMINES SIGNA CHEMISTRY, LLC (US) 2009-12-10 US disclosed
US-20090306391-A1 METHOD FOR DEPROTECTING ARYL OR ALKYL SULFONAMIDES OF PRIMARY OR SECONDARY AMINES SIGNA CHEMISTRY, LLC (US) 2009-12-10 US disclosed
US-20050288344-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases MICRODOSE THERAPEUTX, INC. 2005-12-29 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 (3 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-20050288344-A1 Compounds, compositions and methods for treating or preventing pneumovirus infection and associated diseases TTPA, HAVCR2, ZC3HAV1 MAPK1 4276/4885NR1I2 1869/4885LMNA 254/4885
US-20090306391-A1 METHOD FOR DEPROTECTING ARYL OR ALKYL SULFONAMIDES OF PRIMARY OR SECONDARY AMINES ARSA, KCNJ1, SIK3 MAPK1 1261/4885NR1I2 3407/4885LMNA 537/4885
US-20120183498-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING PNEUMOVIRUS INFECTION AND ASSOCIATED DISEASES TTPA, HAVCR2, ZC3HAV1 MAPK1 4276/4885NR1I2 1869/4885LMNA 254/4885

“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.