Sulfuric Acid

Sulfuric Acid

SCHEMBL7435746

COCCN(O)C(=O)C1(S(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)CCNCC1.O=S(=O)(O)O

nearest known ligand 0.60

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Sulfuric Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 13/20 0.60
MMP14 P50281 11/20 0.60
MMP9 P14780 11/20 0.60
MMP8 P22894 8/20 0.60
MMP13 P45452 8/20 0.60
MMP1 P03956 8/20 0.60
MMP10 P09238 6/20 0.52
KCNH2 Q12809 3/20 0.52
MMP7 P09237 3/20 0.52
MMP2 P08253 4/20 0.48
ADAM17 P78536 1/20 0.43

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
SCHEMBL7422005 0.98 MMP3 (0.62) MMP3MMP14MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL6694876 0.97 MMP3 (0.61) MMP3MMP14MMP9MMP8MMP13
SCHEMBL7433976 0.93 MMP3 (0.54) MMP3MMP14MMP9MMP8MMP13
SCHEMBL7426660 0.93 MMP14 (0.54) MMP3MMP14MMP9MMP8MMP13
Hydrochloric Acid SCHEMBL7429978 0.88 MMP3 (0.59) MMP3MMP14MMP9MMP8MMP13
SCHEMBL7431421 0.86 MMP3 (0.58) MMP3MMP14MMP9MMP8MMP13
SCHEMBL7428734 0.86 MMP3 (0.58) MMP3MMP14MMP9MMP8MMP13
SCHEMBL7426230 0.85 MMP3 (0.57) MMP3MMP14MMP9MMP8MMP13
SCHEMBL7425849 0.82 MMP3 (0.67) MMP3MMP14MMP9MMP8MMP13
SCHEMBL7427208 0.80 MMP3 (0.50) MMP3MMP14MMP9MMP8MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1183239-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2002-03-06 EP disclosed
WO-2000069821-A1 AROMATIC SULFONE HYDROXAMIC ACID METALLOPROTEASE INHIBITOR G.D. SEARLE & CO. (US) 2000-11-23 WO disclosed