SCHEMBL6483736

SCHEMBL6483736

COc1ccc(CNS(=O)(=O)c2ccccc2N)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 6/20 0.76
HTT P42858 2/20 0.64
ALDH1A1 P00352 3/20 0.61
LMNA P02545 2/20 0.58
CNR1 P21554 3/20 0.55
CYP19A1 P11511 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 2/20 0.51

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
SCHEMBL4445371 0.87 NSD2 (1.00) NSD2HTTALDH1A1LMNACNR1
Hydrochloric Acid SCHEMBL4448809 0.85 NSD2 (1.00) NSD2HTTALDH1A1LMNACNR1
SCHEMBL13763413 0.83 NSD2 (0.74) NSD2ALDH1A1LMNA
SCHEMBL6486861 0.81 NSD2 (0.59) NSD2HTTALDH1A1LMNACNR1
SCHEMBL29162296 0.81 NSD2 (0.73) NSD2HTTALDH1A1LMNACNR1
SCHEMBL8359828 0.81 NSD2 (0.58) NSD2HTTALDH1A1LMNACNR1
SCHEMBL7073805 0.80 CA9 (0.58) NSD2HTTALDH1A1LMNACNR1
SCHEMBL7072077 0.80 CA12 (0.74) NSD2HTTALDH1A1CNR1TSHR
SCHEMBL30230094 0.80 NSD2 (0.57) NSD2HTTALDH1A1CNR1CYP19A1
SCHEMBL3659182 0.79 ALDH1A1 (0.88) HTTALDH1A1LMNACYP19A1SMN1; SMN2

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
US-6849648-B2 Phenylene alkyne matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
EP-1434585-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2004-07-07 EP disclosed
US-20030144274-A1 Alkyne matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2003-07-31 US disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO disclosed
WO-2003032999-A1 ALKYNE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2003-04-24 WO disclosed
US-6156746-A 1,2,5-benzothiadiazepine-1,1-dioxides with n-2 imidazolylalkyl substituents BRISTOL-MYERS SQUIBB COMPANY (US) 2000-12-05 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-20030144274-A1 Alkyne matrix metalloproteinase inhibitors MMP11, MMP13, MMP3 NSD2 3950/4885HTT 1717/4885ALDH1A1 102/4885

“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.