SCHEMBL5899028

SCHEMBL5899028

COc1ccc(S(=O)(=O)N2CCC(Oc3ccc(-c4ccccc4C(F)(F)F)cc3)CC2)c(C(=O)NO)c1OC

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 6/20 0.55
MMP13 P45452 6/20 0.55
MCHR1 Q99705 1/20 0.45
SMN1; SMN2 Q16637 4/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL8361646 0.91 MMP2 (0.51) MMP2MMP13MCHR1SMN1; SMN2KMT2A
SCHEMBL6605195 0.91 MMP2 (0.51) MMP2MMP13MCHR1SMN1; SMN2GAA
SCHEMBL6572436 0.88 MMP2 (0.53) MMP2MMP13MCHR1SMN1; SMN2GAA
SCHEMBL5898986 0.87 MMP13 (0.69) MMP2MMP13SMN1; SMN2GAAKMT2A
SCHEMBL8361686 0.87 MMP2 (0.47) MMP2MMP13MCHR1SMN1; SMN2GAA
SCHEMBL5898944 0.86 MMP2 (0.54) MMP2MMP13SMN1; SMN2KMT2AMAPT
SCHEMBL5898993 0.85 MMP2 (0.49) MMP2MMP13SMN1; SMN2KMT2AMAPT
SCHEMBL5898978 0.85 MMP13 (0.60) MMP2MMP13SMN1; SMN2GAAKMT2A
SCHEMBL8361679 0.85 MMP13 (0.64) MMP2MMP13MCHR1SMN1; SMN2KMT2A
SCHEMBL5898961 0.82 MMP2 (0.52) MMP2MMP13SMN1; SMN2KMT2AMAPT

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-7115632-B1 Sulfonyl aryl or heteroaryl hydroxamic acid compounds G. D. SEARLE & CO. (US) 2006-10-03 US disclosed
US-6696449-B2 CONTROL DEGRADATION OF CONENCTING TISSUE; CARDIOVASCULAR DISORDERS PHARMACIA CORPORATION 2004-02-24 US disclosed
US-20030171404-A1 Use of sulfonyl aryl or heteroaryl hydroxamic acids and derivatives thereof as aggrecanase inhibitors PHARMACIA CORPORATION 2003-09-11 US disclosed
US-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors PHARMACIA CORPORATION 2003-04-17 US disclosed
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 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 (2 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-20030073845-A1 Sulfonyl aryl hydroxamates and their use as matrix metalloprotease inhibitors ARSA, MMP1, MMP3 MMP2 7/4885MMP13 8/4885MCHR1 2768/4885
US-20030171404-A1 Use of sulfonyl aryl or heteroaryl hydroxamic acids and derivatives thereof as aggrecanase inhibitors ARSA, AADAC, ASPH MMP2 27/4885MMP13 26/4885MCHR1 3756/4885

“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.