SCHEMBL6579671

SCHEMBL6579671

O=S(=O)(Cl)c1ccc2c3c(oc2c1)CCCC3

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.49
TP53 P04637 6/20 0.46
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C19 P33261 1/20 0.44
KCNH2 Q12809 1/20 0.43
MAOA P21397 1/20 0.43
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
HSD17B10 Q99714 1/20 0.41
STS P08842 2/20 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
SCHEMBL7429739 0.93 HTR6 (0.44) HTR6TP53MAPTSMN1; SMN2CYP1A2
SCHEMBL6579518 0.84 HTR6 (0.49) HTR6TP53MAPTSMN1; SMN2CYP1A2
SCHEMBL6882777 0.77 ALDH1A1 (0.55) SMN1; SMN2CYP3A4KDM4EALDH1A1GAA
SCHEMBL6881406 0.76 ALDH1A1 (0.55) TP53SMN1; SMN2CYP3A4KDM4EALDH1A1
Bicarbonate SCHEMBL6881965 0.74 ALDH1A1 (0.54) SMN1; SMN2KDM4EALDH1A1GAAHPGD
SCHEMBL6778063 0.73 KDM4E (0.44) HTR6TP53MAPTSMN1; SMN2CYP1A2
SCHEMBL7391317 0.73 MMP12 (0.47) HTR6TP53MAPTSMN1; SMN2CYP1A2
SCHEMBL6771728 0.73 SMN1; SMN2 (0.52) HTR6TP53MAPTSMN1; SMN2CYP1A2
Bicarbonate SCHEMBL6879664 0.73 ALDH1A1 (0.55) SMN1; SMN2CYP3A4KDM4EALDH1A1GAA
SCHEMBL6577297 0.72 HTR6 (0.47) HTR6CYP1A2CYP3A4CYP2C19KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1100792-B1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER LAMBERT CO (US) 2004-03-17 EP disclosed
US-6555535-B2 Anticancer, antiarthritic, and antiinflammatory agents, and heart failure treatment WARNER-LAMBERT COMPANY 2003-04-29 US disclosed
US-6492422-B2 GELATINASE A, COLLAGENASE-3, AND STROMELYSIN-1 INHIBITOR AND USEFUL FOR THE TREATMENT OF MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, AROTIC ANEURYSM, HEART FAILURE, RESTENOSIS, PERIODONTAL DISEASE OR AUTOIMMUNE WARNER-LAMBERT COMPANY 2002-12-10 US disclosed
US-20020169164-A1 Tricyclic sulfonamides and their derivatives as inhibitors of matrix metalloproteinases WARNER-LAMBERT COMPANY 2002-11-14 US disclosed
US-20020156071-A1 Tricyclic biphenyl sulfonamide matrix metalloproteinase inhibitors O'BRIEN PATRICK MICHAEL (US) 2002-10-24 US disclosed
EP-1233018-A2 Tricyclic biphenyl sulfonamide matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2002-08-21 EP disclosed
US-6420408-B1 MULTIPLE SCLEROSIS, ATHEROSCLEROTIC PLAQUE RUPTURE, CARDIOVASCULAR DISORDERS, RESTENOSIS, PERIODONTAL DISEASE, AUTOIMMUNE OR INFLAMMATORY DISORDERS, ALZHEIMER'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS, CEREBRAL AMYLOID ANGIOPATHY, WARNER-LAMBERT COMPANY 2002-07-16 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 (2 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-20020156071-A1 Tricyclic biphenyl sulfonamide matrix metalloproteinase inhibitors MMP1, MMP9, MMP3 HTR6 2064/4885TP53 2595/4885MAPT 4666/4885
US-20020169164-A1 Tricyclic sulfonamides and their derivatives as inhibitors of matrix metalloproteinases MMP3, MMP12, MMP8 HTR6 3596/4885TP53 3812/4885MAPT 1220/4885

“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.