SCHEMBL4185217

SCHEMBL4185217

N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.56
MAPT P10636 8/20 0.48
MEN1 O00255 8/20 0.48
KMT2A Q03164 8/20 0.48
ALDH1A1 P00352 7/20 0.46
MAPK1 P28482 3/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 4/20 0.45
HTT P42858 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
HPGD P15428 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL4185228 1.00 EGFR (0.56) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4185223 1.00 EGFR (0.56) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4185321 0.90 MAPT (0.59) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4185318 0.90 MAPT (0.59) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4185322 0.90 MAPT (0.59) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4176511 0.88 EGFR (0.52) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4176509 0.88 EGFR (0.52) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4176515 0.88 EGFR (0.52) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4070448 0.85 EGFR (0.60) EGFRMAPTMEN1KMT2AALDH1A1
SCHEMBL4071182 0.85 EGFR (0.60) EGFRMAPTMEN1KMT2AALDH1A1

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 EGFR 66/4885MAPT 3633/4885MEN1 2503/4885

“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.