SCHEMBL6322368

SCHEMBL6322368

CCCCOc1ccc(S(=O)(=O)N(CCO)Cc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.58
BMP1 P13497 1/20 0.55
PTPN1 P18031 2/20 0.54
BACE1 P56817 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.52
TAS2R14 Q9NYV8 4/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MMP9 P14780 2/20 0.52
MMP13 P45452 1/20 0.52
ADAM17 P78536 1/20 0.52
PTGES O14684 1/20 0.51
TAS2R8 Q9NYW2 1/20 0.51
CXCR3 P49682 1/20 0.51
MMP2 P08253 1/20 0.51
MMP8 P22894 1/20 0.51
CNR1 P21554 1/20 0.50
THRB P10828 1/20 0.49

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
SCHEMBL6322605 0.88 CNR2 (0.58) CNR2BMP1PTPN1TAS2R14RXFP1
SCHEMBL6321588 0.85 TAS2R14 (0.69) CNR2BMP1SMN1; SMN2TAS2R14MMP13
SCHEMBL15677741 0.81 RXFP1 (0.63) CNR2BMP1BACE1TAS2R14RXFP1
SCHEMBL1682448 0.81 LTA4H (0.54) CNR2RXFP1CNR1
SCHEMBL1615044 0.79 TAS2R14 (0.77) TAS2R14PTGESTAS2R8CXCR3
SCHEMBL6322372 0.78 MMP9 (0.62) CNR2BMP1PTPN1TAS2R14MMP9
SCHEMBL28940689 0.78 CNR2 (0.54) CNR2PTPN1MMP9MMP13ADAM17
SCHEMBL3691209 0.77 SMN1; SMN2 (0.74) SMN1; SMN2TAS2R14MMP9MMP13PTGES
SCHEMBL1682452 0.77 ALDH1A1 (0.47) CNR2SMN1; SMN2RXFP1
SCHEMBL1682442 0.76 HTR2A (0.46) CNR2BMP1PTPN1SMN1; SMN2RXFP1

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
US-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors PHARMACIA CORPORATION 2005-01-20 US disclosed
US-6747027-B1 SELECTIVELY INHIBITS IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-13 OVER IN VITRO ACTIVITY OF HUMAN MATRIX METALLOPROTEASE-1 PHARMACIA CORPORATION 2004-06-08 US disclosed
EP-0939629-A4 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO CO (US) 2002-07-17 EP disclosed
EP-0939629-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1999-09-08 EP disclosed
WO-1998003166-A1 THIOL SULFONAMIDE METALLOPROTEASE INHIBITORS MONSANTO COMPANY (US) 1998-01-29 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-20050014840-A1 Thiol sulfonamide metalloprotease inhibitors MMP12, MMP13, MMP3 CNR2 4079/4885BMP1 2254/4885PTPN1 1532/4885

“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.