SCHEMBL4179399

SCHEMBL4179399

CCOc1ccc(C=C(C#N)S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
KDM4E B2RXH2 3/20 0.52
KLK7 P49862 1/20 0.48
KLK14 Q9P0G3 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
MAPT P10636 7/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.43
PKM P14618 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TTR P02766 1/20 0.42
CTDSP1 Q9GZU7 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CCR6 P51684 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL4179391 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4179396 1.00 ALDH1A1 (0.52) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4191881 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4191885 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4191874 0.82 ALDH1A1 (0.55) ALDH1A1KDM4EKLK7KLK14ST14
SCHEMBL4171798 0.81 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL4171794 0.81 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL4171792 0.81 MEN1 (0.42) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL4179078 0.81 KDM4E (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL4179081 0.81 KDM4E (0.49) ALDH1A1KDM4EMAPTMEN1KMT2A

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 2 patents. 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 claimed
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 249/4885KDM4E 1688/4885KLK7 4514/4885

“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.