SCHEMBL4176509

SCHEMBL4176509

N#C/C(=C\c1ccc(O)c([N+](=O)[O-])c1)S(=O)(=O)Cc1ccc(Cl)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.52
MAPT P10636 6/20 0.43
ALDH1A1 P00352 5/20 0.43
KMT2A Q03164 4/20 0.43
MEN1 O00255 3/20 0.43
MAPK1 P28482 3/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 2/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ABL1 P00519 3/20 0.42
BCR P11274 3/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 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
SCHEMBL4176511 1.00 EGFR (0.52) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4176515 1.00 EGFR (0.52) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4185228 0.88 EGFR (0.56) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4185223 0.88 EGFR (0.56) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4185217 0.88 EGFR (0.56) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4182627 0.83 HSD11B1 (0.43) EGFRMAPTKMT2AMEN1MAPK1
SCHEMBL4182624 0.83 HSD11B1 (0.43) EGFRMAPTKMT2AMEN1MAPK1
SCHEMBL4182619 0.83 HSD11B1 (0.43) EGFRMAPTKMT2AMEN1MAPK1
SCHEMBL4185321 0.80 MAPT (0.59) EGFRMAPTALDH1A1KMT2AMEN1
SCHEMBL4185318 0.80 MAPT (0.59) EGFRMAPTALDH1A1KMT2AMEN1

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 EGFR 66/4885MAPT 3633/4885ALDH1A1 249/4885

“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.