SCHEMBL6579518

SCHEMBL6579518

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

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C19 P33261 1/20 0.47
TP53 P04637 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KCNH2 Q12809 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAOA P21397 2/20 0.43
STS P08842 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
SCHEMBL7429739 0.93 HTR6 (0.44) HTR6CYP1A2CYP3A4CYP2C19TP53
SCHEMBL6579671 0.84 HTR6 (0.49) HTR6CYP1A2CYP3A4CYP2C19TP53
SCHEMBL6882777 0.77 ALDH1A1 (0.55) CYP3A4KDM4EALDH1A1GAAHPGD
SCHEMBL6881406 0.76 ALDH1A1 (0.55) CYP3A4TP53KDM4EALDH1A1GAA
SCHEMBL6772123 0.76 KDM4E (0.45) HTR6CYP1A2CYP3A4CYP2C19TP53
Bicarbonate SCHEMBL6881965 0.76 ALDH1A1 (0.54) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL6778063 0.76 KDM4E (0.44) HTR6CYP1A2CYP3A4CYP2C19TP53
SCHEMBL7391317 0.76 MMP12 (0.47) HTR6CYP1A2CYP3A4CYP2C19TP53
Bicarbonate SCHEMBL6879664 0.76 ALDH1A1 (0.55) CYP3A4KDM4EALDH1A1GAAHPGD
SCHEMBL6771728 0.76 SMN1; SMN2 (0.52) HTR6CYP1A2CYP3A4CYP2C19TP53

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 6 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-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-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
EP-1100792-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2001-05-23 EP disclosed
WO-2000006561-A1 TRICYCLIC SULFONAMIDES AND THEIR DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES WARNER-LAMBERT COMPANY (US) 2000-02-10 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 (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-20020169164-A1 Tricyclic sulfonamides and their derivatives as inhibitors of matrix metalloproteinases MMP3, MMP12, MMP8 HTR6 3596/4885CYP1A2 2822/4885CYP3A4 3559/4885

“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.