SCHEMBL6806356

SCHEMBL6806356

CC(C)[C@H](C(=O)NOC1CCCCO1)N(CCN1CCOCC1)S(=O)(=O)c1ccc(Sc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.53
MMP13 P45452 5/20 0.53
BMP1 P13497 1/20 0.38
MMP3 P08254 3/20 0.36
CASR P41180 4/20 0.35
MMP9 P14780 6/20 0.35
MMP1 P03956 4/20 0.35
MMP14 P50281 3/20 0.35
MMP8 P22894 3/20 0.35
MMP16 P51512 1/20 0.35
ADAM17 P78536 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34

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
SCHEMBL6797426 0.95 MMP2 (0.49) MMP2MMP13BMP1MMP3MMP9
SCHEMBL6797425 0.95 MMP2 (0.49) MMP2MMP13BMP1MMP3MMP9
SCHEMBL6797086 0.94 MMP2 (0.49) MMP2MMP13BMP1MMP3CASR
SCHEMBL6797087 0.94 MMP2 (0.49) MMP2MMP13BMP1MMP3CASR
SCHEMBL6798645 0.81 MMP2 (0.61) MMP2MMP13BMP1MMP3CASR
SCHEMBL6796524 0.79 MMP2 (0.68) MMP2MMP13BMP1MMP3MMP9
SCHEMBL6796522 0.79 MMP2 (0.68) MMP2MMP13BMP1MMP3MMP9
SCHEMBL6797433 0.78 BMP1 (0.43) MMP2MMP13BMP1MMP3CA12
SCHEMBL6797089 0.78 BMP1 (0.40) MMP2MMP13BMP1MMP3CASR
SCHEMBL6797057 0.78 MMP2 (0.67) MMP2MMP13BMP1MMP3MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0977745-B1 THIOARYL SULFONAMIDE HYDROXAMIC ACID COMPOUNDS PHARMACIA CORP (US) 2004-12-01 EP disclosed
US-20040034071-A1 Thioaryl sulfonamide hydroxamic acid compounds PHARMACIA CORPORATION 2004-02-19 US disclosed
US-6087359-A A MATRIX METALLOPROTEASE ENZYME INHIBITOR PHARMACIA CORPORATION 2000-07-11 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 (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-20040034071-A1 Thioaryl sulfonamide hydroxamic acid compounds MMP10, MMP1, MMP3 MMP2 4/4885MMP13 11/4885BMP1 2589/4885

“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.