Sulfuric Acid

Sulfuric Acid

SCHEMBL6940799

C.CCC[C@@](Cc1c(C)ccnc1[C@H](C/C=C/c1ccccc1)C(=O)NO)(C(=O)NN)S(C)(=O)=O.O=S(=O)(O)O

nearest known ligand 0.33

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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 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.33
CTSC P53634 1/20 0.31
MASP2 O00187 1/20 0.30
GRM4 Q14833 1/20 0.30

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
SCHEMBL6939999 0.98 ADAM17 (0.33) ADAM17CTSCMASP2GRM4
SCHEMBL6943948 0.84 TGFBR1 (0.33)
SCHEMBL6944954 0.74 ADAM17 (0.37) ADAM17CTSCMASP2GRM4
SCHEMBL6986205 0.73 ADAM17 (0.32) ADAM17
SCHEMBL6942160 0.73 ADAM17 (0.37) ADAM17CTSCMASP2
SCHEMBL6944604 0.71 ADAM17 (0.36) ADAM17CTSCMASP2
SCHEMBL6942646 0.71 ADAM17 (0.40) ADAM17CTSCMASP2
SCHEMBL6942510 0.70 ADAM17 (0.36) ADAM17CTSCMASP2
SCHEMBL6939564 0.70 ADAM17 (0.40) ADAM17CTSCMASP2
SCHEMBL6943958 0.70 ADAM17 (0.34) ADAM17CTSCMASP2

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-0993442-B1 HYDRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2003-04-23 EP disclosed
US-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed