SCHEMBL5898993

SCHEMBL5898993

COc1ccc(OC)c(-c2ccc(OC3CCN(S(=O)(=O)c4ccc(OC)c(OC)c4C(=O)NO)CC3)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.49
MMP13 P45452 3/20 0.49
KMT2A Q03164 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
NPC1 O15118 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 6/20 0.43
TSHR P16473 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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 0.92 MMP2 (0.51) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL6572436 0.89 MMP2 (0.53) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL8363785 0.88 MMP2 (0.51) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5898961 0.87 MMP2 (0.52) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5898944 0.86 MMP2 (0.54) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL8361686 0.86 MMP2 (0.47) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5899028 0.85 MMP2 (0.55) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL8361708 0.85 MMP2 (0.52) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL5898986 0.84 MMP13 (0.69) MMP2MMP13KMT2ASMN1; SMN2MAPT
SCHEMBL8361679 0.84 MMP13 (0.64) MMP2MMP13KMT2ASMN1; SMN2MAPT

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 7 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
EP-1406602-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE INHIBITORS Pharmacia Corporation (US) 2004-04-14 EP disclosed
EP-1406626-A2 SULPHONYL ARYL HYDROXAMATES AND THEIR USE AS MMP INHIBITORS Pharmacia Corporation (US) 2004-04-14 EP disclosed
US-6683078-B2 REDUCING DEGRADATION OF CONNECTIVE TISSUE DUE TO CANCER OR INFLAMMATION PHARMACIA CORPORATION 2004-01-27 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
WO-2003007954-A2 SULFONYL ARYL HYDROXAMATES AND THEIR USE AS MATRIX METALLOPROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2003-01-30 WO disclosed
WO-2003007930-A2 USE OF SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACIDS AND DERIVATIVES THEREOF AS AGGRECANASE 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 (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-20030171404-A1 Use of sulfonyl aryl or heteroaryl hydroxamic acids and derivatives thereof as aggrecanase inhibitors ARSA, AADAC, ASPH MMP2 27/4885MMP13 26/4885KMT2A 1379/4885

“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.