SCHEMBL3814710

SCHEMBL3814710

Cc1cc(Cl)cc([N+](=O)[O-])c1S(=O)(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF18A Q8NI77 1/20 0.39
VCAM1 P19320 5/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
IDH1 O75874 1/20 0.37
CCR2 P41597 1/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
SCHEMBL3646610 0.84 GPR35 (0.48) TSHRMAPTALDH1A1TDP1HSD17B10
SCHEMBL3824283 0.82 TSHR (0.48) KIF18AVCAM1TSHRMAPK1ALDH1A1
SCHEMBL3609619 0.79 GAA (0.40) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL6518952 0.78 GPR35 (0.53) VCAM1TSHRMAPTALDH1A1SMN1; SMN2
SCHEMBL11333385 0.77 VCAM1 (0.39) VCAM1TSHRMAPTALDH1A1TDP1
SCHEMBL11688142 0.76 FFAR4 (0.40) VCAM1LMNAMAPTALDH1A1TDP1
SCHEMBL11690992 0.76 KIF18A (0.42) KIF18AVCAM1TSHRMAPK1LMNA
SCHEMBL5462320 0.76 GPR35 (0.47) VCAM1TSHRMAPK1LMNAMAPT
SCHEMBL18829958 0.76 CYP1A2 (0.55) VCAM1TSHRMAPK1LMNAMAPT
SCHEMBL27544319 0.74 NSD2 (0.43) KIF18AVCAM1TSHRMAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470114-B1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2009-08-19 EP disclosed
CN-100351243-C Peptide nucleic acid oligomers from 1-benzenesulfonyl-3-amino acid side chain-4- (2-nucleobase acetyl) -piperazin-2-one PANAGENE INC (KR) 2007-11-28 CN disclosed
US-7022851-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-04-04 US disclosed
CN-1642923-A Peptide nucleic acid oligomers from 1-benzenesulfonyl-3-amino acid side chain-4-(2-nucleobase(acetyl))-piperazin-2-ones PANAGENE INC (KR) 2005-07-20 CN disclosed
EP-1470114-A4 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE INC (KR) 2005-05-11 EP disclosed
EP-1470114-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES Panagene, Inc. (KR) 2004-10-27 EP disclosed
US-20030195332-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-10-16 US disclosed
WO-2003062212-A1 PEPTIDE NUCLEIC ACID OLIGOMERS FROM 1-BENZENESULFONYL-3-AMINO ACID SIDE CHAIN-4-(2-NUCLEOBASE(ACETYL))-PIPERAZIN-2-ONES PANAGENE, INC. (US) 2003-07-31 WO disclosed
US-4008208-A Compositions having inhibited ability to promote platelet aggregation or fibrin clot formation THE UPJOHN COMPANY (US) 1977-02-15 US disclosed
US-3975371-A Aromatic azo sulfonylnitrene compounds THE UPJOHN COMPANY (US) 1976-08-17 US disclosed
US-3954583-A Photochemical process THE UPJOHN COMPANY (US) 1976-05-04 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-20030195332-A1 PNA monomer and precursor RNGTT, NGLY1, NCL KIF18A 4811/4885VCAM1 1646/4885TSHR 954/4885

“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.