SCHEMBL1265951

SCHEMBL1265951

O=S(=O)(/C=C/c1ccccc1)N1CCc2ccccc2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
TSHR P16473 1/20 0.56
ALDH1A1 P00352 2/20 0.52
LMNA P02545 3/20 0.51
MMP8 P22894 2/20 0.49
MMP3 P08254 1/20 0.49
YAP1 P46937 1/20 0.49
TEAD4 Q15561 1/20 0.49
MAPT P10636 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
AKR1C3 P42330 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL1265953 1.00 KMT2A (1.00) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL1266612 0.85 KMT2A (0.74) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL1266614 0.85 KMT2A (0.74) KMT2AMEN1TSHRALDH1A1MAPT
SCHEMBL1266159 0.84 KMT2A (0.71) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL1266158 0.84 KMT2A (0.71) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL3281358 0.83 MEN1 (0.70) KMT2AMEN1TSHRALDH1A1YAP1
SCHEMBL1266610 0.81 KMT2A (0.68) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL1266609 0.81 KMT2A (0.68) KMT2AMEN1TSHRLMNAMAPT
SCHEMBL1265962 0.80 KMT2A (0.67) KMT2AMEN1TSHRALDH1A1LMNA
SCHEMBL1265963 0.80 KMT2A (0.67) KMT2AMEN1TSHRALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1951674-B1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES MERCK SERONO SA (CH) 2011-11-23 EP disclosed
US-7879876-B2 matrix metalloproteinase inhibitors such as N-{1-[(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)methyl]-3-phenylpropyl}-N-hydroxy formamide; prophylaxis of autoimmune disorders, inflammatory diseases, cardiovascular disorders, neurodegenerative diseases, cancer, respiratory system disorders and fibrosis MERCK SERONO SA (CH) 2011-02-01 US disclosed
US-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases LABORATOIRES SERONO SA (CH) 2009-09-03 US disclosed
EP-1951674-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2008-08-06 EP disclosed
WO-2007048788-A1 SULFONAMIDE DERIVATIVES AND USE THEREOF FOR THE MODULATION OF METALLOPROTEINASES LABORATOIRES SERONO S.A. (CH) 2007-05-03 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-20090221575-A1 Sulfonamide derivatives and use thereof for the modulation of metalloproteinases MMP12, STS, MMP14 KMT2A 1261/4885MEN1 3388/4885TSHR 2748/4885

“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.