SCHEMBL4168014

SCHEMBL4168014

COc1ccc(OC)c(C=C(C#N)S(=O)(=O)Cc2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
MAPK1 P28482 1/20 0.54
PTK2B Q14289 1/20 0.54
MAPT P10636 2/20 0.47
THRB P10828 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
POLB P06746 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
GAA P10253 3/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL4168012 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1PTK2BMAPTTHRB
SCHEMBL4168008 1.00 ALDH1A1 (0.54) ALDH1A1MAPK1PTK2BMAPTTHRB
SCHEMBL4176474 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1PTK2BMAPTMEN1
SCHEMBL4176478 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1PTK2BMAPTMEN1
SCHEMBL4176471 0.91 ALDH1A1 (0.51) ALDH1A1MAPK1PTK2BMAPTMEN1
SCHEMBL4188795 0.87 KMT2A (0.49) ALDH1A1MAPK1PTK2BMAPTMEN1
SCHEMBL4188797 0.87 KMT2A (0.49) ALDH1A1MAPK1PTK2BMAPTMEN1
SCHEMBL4188791 0.87 KMT2A (0.49) ALDH1A1MAPK1PTK2BMAPTMEN1
SCHEMBL4183640 0.87 LMNA (0.54) ALDH1A1MAPK1PTK2BMAPTTHRB
SCHEMBL4183643 0.87 LMNA (0.54) ALDH1A1MAPK1PTK2BMAPTTHRB

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 249/4885MAPK1 1909/4885PTK2B 909/4885

“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.