SCHEMBL9435889

SCHEMBL9435889

O=P(O)(O)C(NS(=O)(=O)c1ccc(Cl)cc1)P(=O)(O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 14/20 1.00
CA12 O43570 13/20 1.00
CA9 Q16790 13/20 1.00
CA14 Q9ULX7 12/20 1.00
CA2 P00918 10/20 1.00
CA1 P00915 7/20 0.90
MMP8 P22894 3/20 0.90
MMP1 P03956 2/20 0.61
MMP9 P14780 2/20 0.61
MMP13 P45452 2/20 0.61
MMP3 P08254 1/20 0.61
MMP7 P09237 1/20 0.61
MMP14 P50281 1/20 0.61
FLT1 P17948 3/20 0.54
FLT4 P35916 3/20 0.54
KDR P35968 3/20 0.54
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50

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
SCHEMBL9811835 0.82 MMP2 (1.00) MMP2CA12CA9CA14CA2
SCHEMBL13111454 0.82 MMP2 (0.70) MMP2CA12CA9CA14CA2
SCHEMBL9811882 0.81 MMP2 (1.00) MMP2CA12CA9CA14CA2
SCHEMBL9811918 0.81 CA12 (0.69) MMP2CA12CA9CA14CA2
SCHEMBL7409476 0.79 MMP2 (0.74) MMP2CA12CA9CA14CA2
SCHEMBL7409478 0.79 MMP2 (0.74) MMP2CA12CA9CA14CA2
SCHEMBL11767663 0.79 MMP2 (0.65) MMP2CA12CA9CA14CA2
SCHEMBL7648565 0.77 MMP2 (1.00) MMP2CA12CA9CA14CA2
SCHEMBL7648573 0.77 MMP2 (1.00) MMP2CA12CA9CA14CA2
SCHEMBL10910171 0.76 CA2 (0.61) MMP2CA12CA9CA14CA2

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-0586521-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1994-03-16 EP disclosed
WO-1992021355-A1 CALCIUM, TRACE MINERAL, VITAMIN D AND DRUG THERAPY COMBINATIONS THE PROCTER & GAMBLE COMPANY (US) 1992-12-10 WO disclosed
EP-0243173-B1 NEW DIPHOSPHONIC ACID COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-06-26 EP disclosed
US-4963536-A INHIBIT BONE RESORPTION FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1990-10-16 US disclosed
US-4857513-A Diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISIWA PHARMACEUTICAL CO., LTD. (JP) 1989-08-15 US disclosed
EP-0243173-A2 New diphosphonic acid compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-10-28 EP disclosed