SCHEMBL4842516

SCHEMBL4842516

O=C=Nc1ccccc1S(=O)(=O)Cl

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.45
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 3/20 0.37
HSD17B10 Q99714 1/20 0.37
TRPA1 O75762 1/20 0.32
TRPV4 Q9HBA0 1/20 0.31
HPGD P15428 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
MAPK1 P28482 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL31152409 1.00 CYP3A4 (0.45) CYP3A4ALDH1A1POLBTDP1HSD17B10
SCHEMBL4822306 0.83 CYP3A4 (0.48) CYP3A4ALDH1A1POLBTDP1TRPA1
SCHEMBL11044958 0.80 CYP3A4 (0.45) CYP3A4ALDH1A1POLBTDP1TRPA1
SCHEMBL3412658 0.80 CA2 (0.47) CYP3A4ALDH1A1POLB
SCHEMBL10411478 0.80 CYP3A4 (0.50) CYP3A4ALDH1A1POLBTDP1TRPA1
SCHEMBL8678321 0.80 CYP3A4 (0.45) CYP3A4ALDH1A1POLBTDP1TRPA1
SCHEMBL1534409 0.78 CYP3A4 (0.44) CYP3A4ALDH1A1POLBTDP1TRPA1
SCHEMBL1340781 0.77 HTR6 (0.48) CYP3A4ALDH1A1POLBGAA
SCHEMBL12234624 0.77 ALDH1A1 (0.41) ALDH1A1POLBTDP1HSD17B10TRPV4
SCHEMBL11289493 0.76 CYP3A4 (0.49) CYP3A4ALDH1A1TDP1HSD17B10TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0154811-A2 Coupling agents between mineral fillers and polymers Plüss-Staufer AG (CH) 1985-09-18 EP claimed
WO-1985003505-A2 COUPLING AGENT BETWEEN MINERAL FILLERS AND POLYMERS PLÜSS-STAUFER AG (CH) 1985-08-15 WO claimed
EP-1718623-B1 COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND VIRAL INFECTIONS 4SC AG (DE) 2008-11-12 EP disclosed
US-7317030-B2 Compounds as inhibitors of cell proliferation and viral infections 4SC AG (DE) 2008-01-08 US disclosed
EP-1718623-A1 COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND VIRAL INFECTIONS 4SC AG (DE) 2006-11-08 EP disclosed
US-6949567-B2 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2005-09-27 US disclosed
WO-2005082868-A1 COMPOUNDS AS INHIBITORS OF CELL PROLIFERATION AND VIRAL INFECTIONS 4SC AG (DE) 2005-09-09 WO disclosed
US-20050197368-A1 Novel compounds as inhibitors of cell proliferation and viral infections 4SC AG (DE) 2005-09-08 US disclosed
EP-1568696-A1 Compounds as inhibitors of cell proliferation and viral infections 4SC AG (DE) 2005-08-31 EP disclosed
EP-1395548-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2004-03-10 EP disclosed
US-20030119876-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2003-06-26 US disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20020165236-A1 Compounds for the treatment of protozoal diseases 4SC AG (DE) 2002-11-07 US disclosed
WO-2002070467-A1 DERIVATIVES OF DIPHENYLUREA, DIPHENYLOXALIC ACID DIAMIDE AND DIPHENYLSULFURIC ACID DIAMIDE AND THEIR USE AS MEDICAMENTS 4SC AG (DE) 2002-09-12 WO disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed
WO-1997034880-A1 PROCESS FOR THE PREPARATION OF A β3-AGONIST MERCK & CO., INC. (US) 1997-09-25 WO disclosed
EP-0154811-A2 Coupling agents between mineral fillers and polymers Plüss-Staufer AG (CH) 1985-09-18 EP disclosed
WO-1985003505-A2 COUPLING AGENT BETWEEN MINERAL FILLERS AND POLYMERS PLÜSS-STAUFER AG (CH) 1985-08-15 WO 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 (3 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-20020165236-A1 Compounds for the treatment of protozoal diseases PKD2, PPOX, PKD1 CYP3A4 838/4885ALDH1A1 1514/4885POLB 1735/4885
US-20050197368-A1 Novel compounds as inhibitors of cell proliferation and viral infections MKI67, CDK7, CD4 CYP3A4 3286/4885ALDH1A1 4079/4885POLB 1814/4885
US-20030119876-A1 Compounds for the treatment of protozoal diseases CLIC1, PKD2, PKD1 CYP3A4 3308/4885ALDH1A1 2904/4885POLB 2646/4885

“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.