SCHEMBL1108519

SCHEMBL1108519

O=C1NC(=O)[C@H](CNS(=O)(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.44
NR3C1 P04150 1/20 0.44
AR P10275 1/20 0.44
ESR2 Q92731 1/20 0.44
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KIF11 P52732 1/20 0.39
CYP19A1 P11511 1/20 0.39
ADAMTS5 Q9UNA0 2/20 0.38
BRAF P15056 2/20 0.38
TGFBR1 P36897 1/20 0.37
PTGES2 Q9H7Z7 1/20 0.37
FDFT1 P37268 1/20 0.36
CACNA1H O95180 1/20 0.36

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
SCHEMBL1100926 1.00 PGR (0.44) PGRNR3C1ARESR2TSHR
SCHEMBL1100719 0.90 CACNA1H (0.43) ARALDH1A1CYP19A1ADAMTS5CACNA1H
SCHEMBL1108487 0.90 CACNA1H (0.43) ARALDH1A1CYP19A1ADAMTS5CACNA1H
SCHEMBL1100111 0.88 PGR (0.42) PGRGAAMAPTCYP19A1AKR1C3
SCHEMBL1108510 0.88 PGR (0.42) PGRGAAMAPTCYP19A1AKR1C3
SCHEMBL1100507 0.87 HTT (0.43) PGRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL1099759 0.87 PGR (0.49) PGRALDH1A1GAAMAPTL3MBTL1
SCHEMBL1108543 0.87 HTT (0.43) PGRALDH1A1MAPTTDP1L3MBTL1
SCHEMBL1100544 0.84 BRAF (0.38) PGRNR3C1ARESR2TSHR
SCHEMBL1108463 0.84 BRAF (0.38) PGRNR3C1ARESR2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-8153673-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2012-04-10 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273849-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-7666892-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2010-02-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-20080262045-A1 Metalloproteinase Inhibitors ASTRAZENECA AB (SE) 2008-10-23 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-7368465-B2 Respiratory system disorders; antiarthritic agents; anticancer agents; bone disorders ASTRAZENECA AB (SE) 2008-05-06 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 US disclosed
US-20040138276-A1 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2004-07-15 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 (3 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-20100273849-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 PGR 3527/4885NR3C1 3050/4885AR 3526/4885
US-20080262045-A1 Metalloproteinase Inhibitors MMP9, MMP12, MMP11 PGR 3527/4885NR3C1 3050/4885AR 3526/4885
US-20040138276-A1 Metalloproteinase inhibitors MMP9, MMP11, MMP7 PGR 2805/4885NR3C1 3581/4885AR 4104/4885

“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.