SCHEMBL7217898

SCHEMBL7217898

O=C(OCc1ccc(S(=O)(=O)Cl)s1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.49
KMT2A Q03164 2/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
LMNA P02545 3/20 0.42
MAPK1 P28482 1/20 0.41
HIF1A Q16665 1/20 0.41
PPARG P37231 1/20 0.41
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 1/20 0.39
LOX P28300 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38

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
SCHEMBL4632348 0.75 TSHR (0.47) LMNAALDH1A1TSHRLOX
SCHEMBL1742818 0.74 HPGD (0.52) KMT2AALDH1A1TSHRLOXHPGD
Benzyl Benzoate SCHEMBL3894643 0.73 KMT2A (0.82) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL15037551 0.72 HTT (0.48) KMT2ALMNAALDH1A1
SCHEMBL4284771 0.72 PPARG (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL6968634 0.70 LOX (0.50) TDP1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL27541115 0.70 TDP1 (0.55) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL7217776 0.69 HPGD (0.62) TDP1KMT2ASLC6A2SLC6A3LMNA
SCHEMBL11511490 0.69 KMT2A (0.67) TDP1KMT2ASLC6A2SLC6A3LMNA
Ethyl Benzoate SCHEMBL27514620 0.68 SMN1; SMN2 (0.59) TDP1KMT2ALMNAMAPK1PPARG

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-6613804-B2 Treatment of hypertension, cardiovascular disease, pulmonary hypertension, erythropoietin-mediated vasoconstriction, endotoxin shock, pulmonary hypertension, anaphylactic shock and hemorrhagic shock ENCYSIVE PHARMACEUTICALS, INC. 2003-09-02 US disclosed
US-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin ENCYSIVE PHARMACEUTICALS INC. 2002-07-18 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-20020095041-A1 Biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin EDNRB, EDNRA, ECE2 TDP1 1612/4885KMT2A 3019/4885SLC6A2 628/4885

“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.