SCHEMBL4182852

SCHEMBL4182852

CN(C)c1ccc(/C=C(/C#N)S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
MAPT P10636 7/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
RAB9A P51151 3/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 6/20 0.43
MEN1 O00255 5/20 0.43
PKM P14618 2/20 0.40
TSHR P16473 1/20 0.40
CACNA1H O95180 2/20 0.39
CACNA1B Q00975 2/20 0.39
IDE P14735 2/20 0.39
NPC1 O15118 2/20 0.38
MITF O75030 1/20 0.38
LMNA P02545 1/20 0.38
KDM4E B2RXH2 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37

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
SCHEMBL4182854 1.00 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL4182848 1.00 ALDH1A1 (0.44) ALDH1A1MAPTL3MBTL1RAB9AMAPK1
SCHEMBL4170107 0.86 TSHR (0.42) ALDH1A1MAPTL3MBTL1MAPK1KMT2A
SCHEMBL4191840 0.86 ACLY (0.46) ALDH1A1MAPTL3MBTL1PKMTSHR
SCHEMBL4170102 0.86 TSHR (0.42) ALDH1A1MAPTL3MBTL1MAPK1KMT2A
SCHEMBL4191837 0.86 ACLY (0.46) ALDH1A1MAPTL3MBTL1PKMTSHR
SCHEMBL4191833 0.86 ACLY (0.46) ALDH1A1MAPTL3MBTL1PKMTSHR
SCHEMBL4170097 0.86 TSHR (0.42) ALDH1A1MAPTL3MBTL1MAPK1KMT2A
SCHEMBL4168122 0.82 TSHR (0.47) ALDH1A1MAPTL3MBTL1KMT2AMEN1
SCHEMBL4168132 0.82 TSHR (0.47) ALDH1A1MAPTL3MBTL1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-07-30 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 (1 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-20090191193-A1 Aryl Vinyl Sulfides, Sulfones, Sulfoxides and Sulfonamides, Derivatives Thereof and Therapeutic Uses Thereof ARSA, STS, SULT2A1 ALDH1A1 249/4885MAPT 3633/4885L3MBTL1 3476/4885

“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.